data_2cqb_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 2cqb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 54' ' ' PHE . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.771 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.771 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.496 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 36' ' ' GLN . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' N ' HG21 ' A' ' 35' ' ' ILE . 19.5 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 8' ' ' LEU . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 73' ' ' PHE . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' PHE . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 3.0 t-20 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 21' ' ' VAL . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.421 ' CG2' HD22 ' A' ' 13' ' ' LEU . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.77 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.408 HD13 ' CB ' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 8' ' ' LEU . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' ASN . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 11' ' ' GLY . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.544 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' ASN . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.43 ' CG2' HD22 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 80' ' ' ASN . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 54' ' ' PHE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 73' ' ' PHE . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.784 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 36' ' ' GLN . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' ILE . 8.0 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 8' ' ' LEU . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 17' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.783 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.783 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.516 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.1 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.474 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 54' ' ' PHE . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' CE1' ' A' ' 46' ' ' HIS . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.49 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.49 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 4.8 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.842 0.354 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 54' ' ' PHE . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' GLY . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 9.5 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.534 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.418 ' N ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.773 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' ASP . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.549 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 62' ' ' ALA . 2.4 m-80 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 26' ' ' PHE . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.4 t30 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 26' ' ' PHE . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.788 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.416 ' HE1' ' CZ ' ' A' ' 26' ' ' PHE . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 54' ' ' PHE . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 HD11 ' CB ' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' CB ' HD11 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 54' ' ' PHE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.484 ' CE1' HD12 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.783 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.783 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 8' ' ' LEU . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' ASN . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 2.3 m-80 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 54' ' ' PHE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 67' ' ' MET . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.776 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.776 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' ASP . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 36' ' ' GLN . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 35' ' ' ILE . 10.5 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 8' ' ' LEU . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' C ' ' N ' ' A' ' 66' ' ' ASN . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 2.3 m-80 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.8 t30 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' CE1' HG12 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' CD1' ' CE1' ' A' ' 54' ' ' PHE . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 19' ' ' ASP . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.784 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 36' ' ' GLN . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 35' ' ' ILE . 9.4 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 45' ' ' LYS . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' HD23 ' A' ' 39' ' ' LEU . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.609 ' CE1' ' CD1' ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 6' ' ' ARG . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' NH1' ' HB1' ' A' ' 14' ' ' ALA . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.543 ' CD1' ' CE1' ' A' ' 54' ' ' PHE . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 11' ' ' GLY . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 10' ' ' VAL . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' CE1' ' A' ' 46' ' ' HIS . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 18' ' ' ASP . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' CD1' ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.418 ' HB3' ' CG2' ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 54' ' ' PHE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' ASP . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.508 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' ASN . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.55 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 73' ' ' PHE . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.485 ' CE1' HD12 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 6.7 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.538 ' HE1' ' CE1' ' A' ' 26' ' ' PHE . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' NH1' ' CB ' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 54' ' ' PHE . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 11' ' ' GLY . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG11 ' A' ' 10' ' ' VAL . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.51 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.51 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 3.8 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 8' ' ' LEU . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' ASN . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 1.8 m-80 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.509 ' NH1' ' CB ' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' HG13 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.776 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.776 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.545 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ASN . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 13' ' ' LEU . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 10' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 18' ' ' ASP . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.78 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 45' ' ' LYS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 39' ' ' LEU . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.46 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 21' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.452 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.7 p -167.22 165.42 15.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 t -172.1 153.9 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.28 106.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.5 p -86.11 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.9 m -38.08 -53.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.27 -132.72 3.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt -128.56 118.96 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.26 160.98 14.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 36.3 p -121.17 23.89 10.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 m -89.08 54.34 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -105.19 30.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 3' ' ' THR . 0.6 OUTLIER -105.56 -42.8 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 54' ' ' PHE . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.771 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.771 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.496 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 36' ' ' GLN . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' N ' HG21 ' A' ' 35' ' ' ILE . 19.5 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 8' ' ' LEU . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 129.97 32.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -67.73 152.38 96.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.58 3.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -170.27 105.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 pt -116.46 168.14 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -147.78 166.14 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -128.49 132.18 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 p -87.52 127.65 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.7 160.27 32.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.06 27.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.5 p -130.22 160.52 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 t 37.85 41.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.4 p -159.85 116.06 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 11.3 m -70.82 -56.18 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 96.28 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 m -82.04 -60.72 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.1 m -147.33 169.36 19.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.77 128.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ptm -86.57 137.9 32.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.11 167.76 28.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 p -109.4 -47.1 3.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.26 139.07 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -123.22 -24.48 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -75.7 -50.37 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 73' ' ' PHE . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' PHE . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 3.0 t-20 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 21' ' ' VAL . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.421 ' CG2' HD22 ' A' ' 13' ' ' LEU . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.62 123.45 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -58.74 149.68 62.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.76 3.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -59.17 149.55 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -142.86 121.29 12.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.9 pt -89.09 146.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -106.31 128.69 54.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 91' ' ' GLY . 3.0 pp20? -168.89 155.23 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.3 p -86.15 -47.42 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 89' ' ' GLU . . . 38.03 76.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.2 p -163.52 133.64 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 m -133.94 99.15 4.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.3 p -138.43 126.43 22.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 94.8 p -160.78 145.17 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.58 169.22 19.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.6 p -56.08 175.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -83.13 -60.15 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.47 124.36 0.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt -81.09 -61.72 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.04 165.64 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.6 p -76.81 -47.11 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -93.2 110.73 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 19.2 mtpp -113.21 32.41 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -99.43 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.77 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.408 HD13 ' CB ' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 8' ' ' LEU . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' ASN . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.31 121.48 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.34 146.98 98.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 108.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -95.17 171.15 8.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -138.04 139.59 39.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.21 131.78 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.27 110.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -116.54 134.37 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 47.8 t -77.69 -58.49 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . 36.1 72.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.57 9.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -97.59 84.01 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 p -154.17 147.73 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.7 p -42.72 128.81 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 38.8 m -119.81 166.54 13.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.44 58.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.0 m -105.61 141.71 36.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.0 p -96.15 144.17 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.57 -105.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm -124.96 126.73 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.87 166.84 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -134.4 -43.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.02 112.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 24.88 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -98.81 -38.85 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 11' ' ' GLY . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.544 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' ASN . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.43 ' CG2' HD22 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 80' ' ' ASN . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.33 158.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -110.94 149.96 41.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.7 3.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 115.99 28.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -172.91 129.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 pt -118.59 69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -156.09 146.81 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -105.4 172.84 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.5 p -147.23 154.59 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.25 94.74 2.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.27 2.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t 74.82 50.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -169.19 155.25 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 26.7 p -79.8 81.07 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.2 m -54.05 114.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.97 106.63 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.6 m -80.94 -59.42 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.4 t -142.85 139.04 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -176.68 77.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt -87.28 88.8 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.6 103.79 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 p -80.28 -43.55 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.3 m -83.4 99.52 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -101.76 39.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -110.35 -39.06 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 54' ' ' PHE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 73' ' ' PHE . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.784 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 36' ' ' GLN . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' ILE . 8.0 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 8' ' ' LEU . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 17' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.15 123.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -97.6 148.32 34.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.07 142.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -106.12 136.04 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -136.23 179.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -82.81 36.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.42 126.24 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.1 t -135.61 135.64 40.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 139.57 47.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 p -59.55 167.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -125.93 126.95 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.2 t -115.13 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.9 t -64.52 94.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 38.76 82.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.22 48.25 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 30.9 t -49.15 -42.78 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -64.66 167.0 30.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttp 58.77 49.46 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.68 34.57 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.2 m -57.28 -48.05 79.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.5 m -146.68 151.7 37.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -134.66 -39.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -61.64 -38.8 89.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.783 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.783 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.516 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.1 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.474 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.17 133.44 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -56.86 148.3 49.36 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.63 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.3 tpt -139.28 121.06 15.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -151.42 146.16 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.2 pt -130.64 35.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.38 28.94 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -85.15 84.08 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -170.48 167.13 8.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.28 146.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -166.97 161.41 14.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -164.39 142.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.1 t -103.44 151.22 23.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 42.8 p -120.82 9.23 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.89 98.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.7 m -48.23 165.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 99.5 p -68.14 176.82 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 114.35 106.33 2.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptm -114.62 132.92 56.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.78 -62.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p -70.77 145.89 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.5 m -46.07 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -105.42 28.92 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -95.12 -49.24 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 54' ' ' PHE . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' CE1' ' A' ' 46' ' ' HIS . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.49 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.49 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 4.8 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 133.73 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.91 145.09 97.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 110.03 2.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.405 ' CE ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -89.08 108.86 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -154.51 131.7 11.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.405 HG23 ' CE ' ' A' ' 85' ' ' MET . 9.4 pt -117.26 33.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -135.87 136.43 40.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -172.25 112.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 p -139.98 154.72 47.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.26 76.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -176.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -104.01 128.69 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.8 p -144.86 160.31 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.2 p -160.37 164.48 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.4 m -144.15 168.84 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -146.19 102.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.4 p -151.13 118.4 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.4 m -44.01 -51.07 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 44.7 67.82 1.06 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ptm -79.58 141.32 36.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.05 146.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 m -88.65 -44.9 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -86.49 110.33 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -106.46 45.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -119.68 -39.5 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 54' ' ' PHE . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' GLY . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 9.5 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.534 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.47 132.05 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 146.76 90.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.3 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttt -82.32 152.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -131.18 140.24 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.5 pt -130.13 111.14 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER 36.94 29.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ILE . 0.6 OUTLIER -76.91 82.02 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 m -134.86 -174.57 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 92' ' ' PRO . . . -100.07 100.46 2.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -69.84 -46.07 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -162.65 117.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.7 t -104.72 123.7 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 41.7 p 43.35 46.34 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 81.5 p -114.44 126.83 55.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -156.76 140.03 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 m -108.92 100.72 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -70.02 90.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -50.71 95.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -134.36 -53.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -99.71 -39.66 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . 40.9 p 34.32 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.2 m -101.24 91.59 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.58 54.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -131.64 -36.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' N ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.773 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' ASP . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.549 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 62' ' ' ALA . 2.4 m-80 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 26' ' ' PHE . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.4 t30 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.05 102.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -46.01 152.44 0.77 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.41 13.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.64 111.97 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -161.29 146.15 13.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 pp -127.14 159.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -155.22 133.38 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.13 85.01 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -114.72 165.04 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.8 -160.92 10.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 129.0 16.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.4 p -78.97 144.23 34.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -93.79 169.08 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' -4' ' ' SER . 27.4 p -148.08 124.44 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -5' ' ' SER . 2.1 t -37.81 -56.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 159.92 -42.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -59.95 171.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -118.65 147.88 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -96.64 -51.41 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -45.04 137.33 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.7 176.04 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -69.98 -46.94 64.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -132.19 119.67 21.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.48 11.73 8.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 -96.14 -44.81 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 26' ' ' PHE . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.788 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.416 ' HE1' ' CZ ' ' A' ' 26' ' ' PHE . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.11 106.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 150.13 1.38 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm -109.7 -178.78 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -125.43 153.79 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -131.87 19.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -76.28 148.73 37.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.66 -61.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 t -170.33 156.14 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.56 121.71 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.02 7.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -70.09 95.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.5 m -60.57 143.67 53.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.6 t -79.88 177.9 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 97.24 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.46 123.41 13.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.7 t -52.81 173.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -58.48 -46.03 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -140.45 -125.44 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt -124.21 156.34 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.63 162.46 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 4' ' ' THR . 38.4 m -121.58 163.38 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' N ' ' CG2' ' A' ' 3' ' ' THR . 1.5 m 61.9 54.1 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -94.32 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.24 35.53 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 54' ' ' PHE . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 HD11 ' CB ' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' CB ' HD11 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 29' ' ' PHE . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.54 134.97 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.04 149.72 23.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -160.87 141.46 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -106.59 145.89 31.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.3 pt -121.59 37.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -88.29 140.69 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -111.81 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -88.89 -46.21 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.98 144.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.23 28.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -122.71 -55.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -47.49 120.8 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.7 m -72.77 147.2 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 22.6 t -126.68 -44.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 119.27 124.42 3.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.44 88.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.0 m -113.29 102.71 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 133.65 112.77 1.34 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 96.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -164.87 137.03 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.78 70.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -78.84 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.9 -29.95 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 54' ' ' PHE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' CE1' HD12 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.783 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.783 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 8' ' ' LEU . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' ASN . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 2.3 m-80 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.89 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.98 152.63 2.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.4 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttt -63.9 151.34 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -143.28 119.14 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.74 164.08 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 175.8 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -157.28 142.87 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.9 t -136.12 131.46 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.12 83.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.44 24.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p -126.82 90.03 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -166.91 107.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 m -136.26 149.22 48.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 m -163.99 155.58 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.16 61.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.7 m -114.06 83.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.0 p -120.83 138.48 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 122.58 80.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttp -117.25 -64.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.32 136.51 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -74.3 -17.09 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.8 m -99.58 96.54 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -98.71 36.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -95.92 -40.56 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 54' ' ' PHE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 67' ' ' MET . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.776 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.776 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' ASP . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 36' ' ' GLN . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 35' ' ' ILE . 10.5 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 8' ' ' LEU . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' C ' ' N ' ' A' ' 66' ' ' ASN . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 2.3 m-80 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.8 t30 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' CE1' HG12 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.49 136.59 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -70.18 153.67 95.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.46 10.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.1 tpt 45.91 46.46 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -93.7 99.76 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 pt -101.14 35.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -133.42 151.91 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -85.13 107.92 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 m -67.79 172.3 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.96 148.51 14.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -173.56 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -160.33 130.06 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 p -56.12 -45.9 79.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.9 t -161.52 114.69 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 88.7 p -144.02 107.31 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -77.0 -153.45 5.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 27.0 p -87.5 85.08 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.2 t -131.41 113.34 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -126.44 -32.17 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt -99.34 -54.74 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.824 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 46.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -146.02 164.39 32.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -132.59 149.93 52.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 1.3 mptm? -117.85 -32.07 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -63.07 -24.78 68.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.609 ' CD1' ' CE1' ' A' ' 54' ' ' PHE . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 19' ' ' ASP . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.784 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 36' ' ' GLN . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 35' ' ' ILE . 9.4 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 45' ' ' LYS . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' HD23 ' A' ' 39' ' ' LEU . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.609 ' CE1' ' CD1' ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 6' ' ' ARG . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' NH1' ' HB1' ' A' ' 14' ' ' ALA . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.87 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -79.37 152.27 75.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.533 0.683 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.5 mmm -41.41 151.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 91.12 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.1 pt -121.27 144.81 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -77.68 117.53 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.48 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -49.12 -50.08 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.73 61.72 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 169.31 19.33 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m -123.85 149.87 45.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.7 p -117.79 157.16 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.3 t -154.55 175.33 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 75.3 m -111.76 42.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.65 -171.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.6 p -163.59 135.76 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.7 m -157.43 162.12 38.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 128.31 50.72 0.14 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ptm -92.56 55.01 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 -47.32 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -77.96 158.29 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -56.11 129.42 39.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -103.11 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -105.52 -44.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' CD1' ' CE1' ' A' ' 54' ' ' PHE . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 11' ' ' GLY . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 10' ' ' VAL . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' CE1' ' A' ' 46' ' ' HIS . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 18' ' ' ASP . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' CD1' ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.418 ' HB3' ' CG2' ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.96 155.31 40.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -98.09 147.42 33.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 106.21 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 86' ' ' ARG . 7.7 tpt -97.66 -41.61 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 85' ' ' MET . 22.6 mmt-85 -32.25 129.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.11 158.42 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -165.28 150.19 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -158.49 105.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.6 m -149.17 179.0 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 83.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -177.12 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -168.34 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.9 p -99.11 148.78 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.4 p -116.83 166.19 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 84.6 p -174.65 139.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.1 -136.15 2.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.49 158.44 20.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.6 m -121.67 146.1 47.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -138.81 -165.52 10.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm -72.13 148.73 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.8 158.07 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p -72.37 -21.77 61.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -151.65 106.4 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -77.28 51.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -129.13 -39.55 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 54' ' ' PHE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' ASP . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.781 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.781 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.508 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' ASN . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 26' ' ' PHE . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.58 143.75 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -87.08 159.29 51.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.222 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.3 -179.91 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -109.98 159.17 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.56 172.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -119.6 118.83 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -121.34 147.42 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 m -116.59 -51.18 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.26 66.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.2 p -83.75 -52.65 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -97.67 -43.27 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.82 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -70.26 148.76 48.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 108.33 135.12 7.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.56 116.02 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.4 p -160.97 106.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.83 101.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.98 151.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.15 143.02 49.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -82.66 -42.76 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.28 132.81 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -101.57 39.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -109.74 -46.33 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.55 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 73' ' ' PHE . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.485 ' CE1' HD12 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.775 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.775 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 6.7 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.538 ' HE1' ' CE1' ' A' ' 26' ' ' PHE . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' NH1' ' CB ' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 160.53 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -80.15 154.06 74.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.03 11.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -62.54 117.56 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 17.5 ttm-85 -162.4 150.84 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.8 pt -123.06 113.86 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -169.33 128.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.62 77.11 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -114.41 177.61 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.96 71.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 140.57 43.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -114.92 153.05 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 m -122.18 171.32 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.518 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.9 t -99.29 93.47 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 45.3 p -93.53 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.7 -173.62 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 77.9 p -158.22 156.86 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 t -167.93 158.91 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 102.55 180.0 26.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -41.56 152.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' CB ' ' HE3' ' A' ' 5' ' ' LYS . . . -114.79 167.09 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -155.66 128.21 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.6 m 71.43 53.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HE3' ' CB ' ' A' ' 2' ' ' ALA . 44.0 mttt -81.46 42.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -113.5 -46.18 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 54' ' ' PHE . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 11' ' ' GLY . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG11 ' A' ' 10' ' ' VAL . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.779 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.779 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.51 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.51 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 3.8 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 8' ' ' LEU . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' ASN . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 1.8 m-80 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.509 ' NH1' ' CB ' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.36 134.86 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -44.85 155.53 0.39 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.9 ptm -45.05 160.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -134.23 154.42 51.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.27 30.08 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -163.26 121.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.39 146.78 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -99.51 130.05 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.05 87.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 165.87 29.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.0 p -139.0 157.07 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -89.32 143.77 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.4 p -108.92 161.29 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.3 t -87.44 42.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -75.41 61.03 2.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -109.38 128.59 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 85.0 p -117.7 124.4 48.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -77.74 149.09 34.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.93 101.36 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.2 m -105.79 110.29 22.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 -69.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.6 35.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -110.31 -44.67 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' HG13 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.776 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.776 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.545 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ASN . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.52 139.18 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -44.87 149.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.39 13.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 ttt -124.14 110.64 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 103.79 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.04 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -134.7 170.58 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -172.29 117.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 p -116.34 154.74 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.07 83.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -6.05 17.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 p -42.82 -46.74 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.8 m -116.21 135.77 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.7 m -135.26 167.58 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.5 t -98.43 172.23 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -115.16 -83.84 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.8 t 65.77 42.18 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.4 t -39.27 -46.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 132.71 -113.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE3' ' CG2' ' A' ' 3' ' ' THR . 6.5 tpt -61.93 97.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.69 128.91 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.402 ' CG2' ' HE3' ' A' ' 1' ' ' MET . 43.8 p -144.37 135.16 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m 68.24 50.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 9.1 mmtp -83.27 51.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -126.79 -48.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' A' ' 54' ' ' PHE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 13' ' ' LEU . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 10' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 18' ' ' ASP . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.78 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 45' ' ' LYS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 39' ' ' LEU . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.46 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 8' ' ' LEU . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 21' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.452 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 5' ' ' LYS . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.81 141.4 55.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 152.89 87.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.01 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.287 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ptm -62.0 156.59 20.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -124.43 153.1 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -121.23 147.67 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -111.59 -20.28 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.53 136.88 40.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -122.72 -53.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.48 107.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.33 53.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.5 p -131.67 126.23 34.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -114.67 -60.92 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 53' ' ' GLU . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.92 HD21 ' HB1' ' A' ' 60' ' ' ALA . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 17' ' ' VAL . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG11 HD22 ' A' ' 13' ' ' LEU . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 26' ' ' PHE . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.53 HD13 ' CB ' ' A' ' 50' ' ' ALA . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 44' ' ' GLU . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 39' ' ' LEU . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.847 ' HG3' HG22 ' A' ' 7' ' ' VAL . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' OD2' ' A' ' 59' ' ' ASP . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.866 HD11 HD22 ' A' ' 8' ' ' LEU . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.698 ' CB ' HG21 ' A' ' 79' ' ' VAL . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 13' ' ' LEU . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.876 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.876 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 32' ' ' ILE . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 44' ' ' GLU . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD22 ' A' ' 39' ' ' LEU . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.801 ' CB ' HG21 ' A' ' 79' ' ' VAL . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.9 t30 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' GLY . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.801 HG21 ' CB ' ' A' ' 67' ' ' MET . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 81' ' ' LEU . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 60' ' ' ALA . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 17' ' ' VAL . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.792 HG11 HD22 ' A' ' 13' ' ' LEU . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 13' ' ' LEU . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 26' ' ' PHE . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.489 HD11 HG21 ' A' ' 32' ' ' ILE . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 8' ' ' LEU . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.812 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 67' ' ' MET . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.964 HD21 ' HB1' ' A' ' 60' ' ' ALA . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.544 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD23 HG21 ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.874 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 14' ' ' ALA . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 73' ' ' PHE . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 13' ' ' LEU . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.518 ' O ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 35' ' ' ILE . 2.3 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' HB1' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.964 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 8' ' ' LEU . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.756 ' HB3' HG21 ' A' ' 79' ' ' VAL . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.73 HG21 HD23 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 64' ' ' ILE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 13' ' ' LEU . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 10' ' ' VAL . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.0 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.0 HG23 ' HB3' ' A' ' 14' ' ' ALA . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 13' ' ' LEU . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HA ' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.875 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.875 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.649 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.844 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 8' ' ' LEU . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.68 ' HB3' HG21 ' A' ' 79' ' ' VAL . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 12' ' ' GLY . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 67' ' ' MET . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 64' ' ' ILE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.903 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.903 HG11 HD22 ' A' ' 13' ' ' LEU . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 13' ' ' LEU . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 27' ' ' ILE . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 35' ' ' ILE . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.443 HG22 ' OE1' ' A' ' 55' ' ' GLU . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 50' ' ' ALA . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG13 HG12 ' A' ' 35' ' ' ILE . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.791 HD11 HD22 ' A' ' 8' ' ' LEU . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.886 ' HB3' HG21 ' A' ' 79' ' ' VAL . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' GLY . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.886 HG21 ' HB3' ' A' ' 67' ' ' MET . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.963 HD21 ' HB1' ' A' ' 60' ' ' ALA . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG12 ' HG ' ' A' ' 13' ' ' LEU . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 17' ' ' VAL . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 14' ' ' ALA . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' HA ' HD13 ' A' ' 32' ' ' ILE . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 32' ' ' ILE . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.74 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.74 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 35' ' ' ILE . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 8' ' ' LEU . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.868 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.829 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 67' ' ' MET . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.842 0.354 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 60' ' ' ALA . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.516 HG11 HD21 ' A' ' 13' ' ' LEU . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.714 HD22 HG11 ' A' ' 17' ' ' VAL . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.714 HG11 HD22 ' A' ' 13' ' ' LEU . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD11 HD11 ' A' ' 13' ' ' LEU . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.864 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.864 ' HD3' HG22 ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 23' ' ' HIS . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 32' ' ' ILE . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.709 HD13 ' CB ' ' A' ' 50' ' ' ALA . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.709 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.81 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 67' ' ' MET . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 60' ' ' ALA . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 22' ' ' LEU . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.045 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.045 HG23 ' HB3' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 13' ' ' LEU . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.606 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.913 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.913 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 26' ' ' PHE . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 23' ' ' HIS . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.73 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 44' ' ' GLU . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.73 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.685 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.839 ' CB ' HG21 ' A' ' 79' ' ' VAL . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 8.6 t-20 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 13' ' ' LEU . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.839 HG21 ' CB ' ' A' ' 67' ' ' MET . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 81' ' ' LEU . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' A' ' 60' ' ' ALA . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 13' ' ' LEU . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.739 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 14' ' ' ALA . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 13' ' ' LEU . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.526 HG22 ' OE1' ' A' ' 55' ' ' GLU . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' GLU . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.551 ' O ' HD22 ' A' ' 39' ' ' LEU . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.675 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' OE1' HG22 ' A' ' 33' ' ' THR . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.911 ' HB3' HG21 ' A' ' 79' ' ' VAL . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 81' ' ' LEU . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 13' ' ' LEU . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD22 HG11 ' A' ' 17' ' ' VAL . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 13' ' ' LEU . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.829 ' OD1' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.829 HG23 ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 27' ' ' ILE . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.878 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.878 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 26' ' ' PHE . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.707 HD13 ' HB1' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.632 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 38' ' ' PRO . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.596 HD11 HD22 ' A' ' 8' ' ' LEU . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.805 ' HB3' HG21 ' A' ' 79' ' ' VAL . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD22 HD11 ' A' ' 64' ' ' ILE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 HD22 ' A' ' 13' ' ' LEU . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.427 HD21 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.909 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.909 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 35' ' ' ILE . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 32' ' ' ILE . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 mm100 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.545 HD13 ' CB ' ' A' ' 50' ' ' ALA . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 38' ' ' PRO . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.761 HG23 ' CD ' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.813 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.87 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 6.3 m120 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.908 ' HB3' HG21 ' A' ' 79' ' ' VAL . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.908 HG21 ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 64' ' ' ILE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.711 HD22 HG11 ' A' ' 17' ' ' VAL . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.972 HG23 ' HB3' ' A' ' 14' ' ' ALA . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 13' ' ' LEU . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 26' ' ' PHE . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD13 ' HB1' ' A' ' 50' ' ' ALA . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.435 ' C ' ' HG2' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.704 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 8' ' ' LEU . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.5 m120 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 12' ' ' GLY . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 67' ' ' MET . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 53' ' ' GLU . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.995 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG11 HD21 ' A' ' 13' ' ' LEU . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 14' ' ' ALA . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 73' ' ' PHE . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 13' ' ' LEU . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 27' ' ' ILE . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.857 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.857 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG21 HD11 ' A' ' 35' ' ' ILE . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG12 HG13 ' A' ' 52' ' ' VAL . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 4.1 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.634 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 44' ' ' GLU . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.648 HG13 HG12 ' A' ' 35' ' ' ILE . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 21' ' ' VAL . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLY . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.41 HG21 ' CB ' ' A' ' 67' ' ' MET . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' HB1' ' A' ' 60' ' ' ALA . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 17' ' ' VAL . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.579 HG11 HD22 ' A' ' 13' ' ' LEU . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.636 HG22 ' OE1' ' A' ' 55' ' ' GLU . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 23' ' ' HIS . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 50' ' ' ALA . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 38' ' ' PRO . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 35' ' ' ILE . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.636 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.841 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.804 HD11 HD22 ' A' ' 8' ' ' LEU . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.507 HD11 ' CE ' ' A' ' 67' ' ' MET . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 17' ' ' VAL . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 13' ' ' LEU . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 35' ' ' ILE . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.867 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 26' ' ' PHE . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.437 HD12 ' OD1' ' A' ' 19' ' ' ASP . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.796 HD13 ' CB ' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 44' ' ' GLU . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.968 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.035 HD11 HD22 ' A' ' 8' ' ' LEU . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.875 ' HB3' HG21 ' A' ' 79' ' ' VAL . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.424 HD11 ' HE3' ' A' ' 67' ' ' MET . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' A' ' 67' ' ' MET . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.883 HD21 ' HB1' ' A' ' 60' ' ' ALA . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 13' ' ' LEU . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 10' ' ' VAL . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.576 HG11 HD22 ' A' ' 13' ' ' LEU . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.651 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 8' ' ' LEU . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.734 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 12' ' ' GLY . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 67' ' ' MET . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 17' ' ' VAL . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.823 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 16' ' ' GLU . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 15' ' ' GLU . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 14' ' ' ALA . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 73' ' ' PHE . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.624 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.636 HD13 ' HB1' ' A' ' 50' ' ' ALA . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 44' ' ' GLU . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 39' ' ' LEU . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.898 HD11 HD22 ' A' ' 8' ' ' LEU . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 4.7 m120 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 79' ' ' VAL . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 77' ' ' ILE . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.823 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' GLY . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 67' ' ' MET . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.477 HG11 HD21 ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB2' ' NE ' ' A' ' 75' ' ' ARG . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.579 HG23 ' HB3' ' A' ' 14' ' ' ALA . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 13' ' ' LEU . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.588 ' CE1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.888 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.888 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 HD11 ' A' ' 35' ' ' ILE . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 HG21 ' A' ' 32' ' ' ILE . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 50' ' ' ALA . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 44' ' ' GLU . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 43' ' ' THR . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.8 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.661 ' NE ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.963 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 ' HB3' ' A' ' 14' ' ' ALA . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.889 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.889 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 46' ' ' HIS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.475 ' HB3' HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.963 HD11 HD22 ' A' ' 8' ' ' LEU . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.733 ' CB ' HG21 ' A' ' 79' ' ' VAL . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 67' ' ' MET . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.7 p -167.22 165.42 15.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 t -172.1 153.9 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.28 106.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.5 p -86.11 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.9 m -38.08 -53.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.27 -132.72 3.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt -128.56 118.96 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.26 160.98 14.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 36.3 p -121.17 23.89 10.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 m -89.08 54.34 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -105.19 30.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 3' ' ' THR . 0.6 OUTLIER -105.56 -42.8 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 53' ' ' GLU . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD21 ' HB1' ' A' ' 60' ' ' ALA . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 17' ' ' VAL . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG11 HD22 ' A' ' 13' ' ' LEU . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 26' ' ' PHE . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD13 ' CB ' ' A' ' 50' ' ' ALA . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 44' ' ' GLU . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 39' ' ' LEU . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.847 ' HG3' HG22 ' A' ' 7' ' ' VAL . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' OD2' ' A' ' 59' ' ' ASP . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.866 HD11 HD22 ' A' ' 8' ' ' LEU . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.698 ' CB ' HG21 ' A' ' 79' ' ' VAL . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 129.97 32.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -67.73 152.38 96.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.58 3.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -170.27 105.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 pt -116.46 168.14 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -147.78 166.14 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -128.49 132.18 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 p -87.52 127.65 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.7 160.27 32.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.06 27.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.5 p -130.22 160.52 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 t 37.85 41.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.4 p -159.85 116.06 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 11.3 m -70.82 -56.18 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 96.28 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 m -82.04 -60.72 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.1 m -147.33 169.36 19.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.77 128.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ptm -86.57 137.9 32.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.11 167.76 28.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 p -109.4 -47.1 3.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.26 139.07 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -123.22 -24.48 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -75.7 -50.37 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 13' ' ' LEU . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.876 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.876 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 32' ' ' ILE . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 44' ' ' GLU . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD22 ' A' ' 39' ' ' LEU . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.801 ' CB ' HG21 ' A' ' 79' ' ' VAL . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.9 t30 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' GLY . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.801 HG21 ' CB ' ' A' ' 67' ' ' MET . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 81' ' ' LEU . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.62 123.45 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -58.74 149.68 62.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.76 3.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -59.17 149.55 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -142.86 121.29 12.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.9 pt -89.09 146.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -106.31 128.69 54.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 91' ' ' GLY . 3.0 pp20? -168.89 155.23 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.3 p -86.15 -47.42 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 89' ' ' GLU . . . 38.03 76.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.2 p -163.52 133.64 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 m -133.94 99.15 4.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.3 p -138.43 126.43 22.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 94.8 p -160.78 145.17 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.58 169.22 19.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.6 p -56.08 175.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -83.13 -60.15 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.47 124.36 0.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt -81.09 -61.72 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.04 165.64 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.6 p -76.81 -47.11 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -93.2 110.73 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 19.2 mtpp -113.21 32.41 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -99.43 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 60' ' ' ALA . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 17' ' ' VAL . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.792 HG11 HD22 ' A' ' 13' ' ' LEU . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 13' ' ' LEU . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 26' ' ' PHE . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.489 HD11 HG21 ' A' ' 32' ' ' ILE . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 8' ' ' LEU . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.812 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 67' ' ' MET . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.31 121.48 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.34 146.98 98.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 108.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -95.17 171.15 8.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -138.04 139.59 39.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.21 131.78 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.27 110.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -116.54 134.37 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 47.8 t -77.69 -58.49 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . 36.1 72.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.57 9.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -97.59 84.01 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 p -154.17 147.73 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.7 p -42.72 128.81 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 38.8 m -119.81 166.54 13.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.44 58.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.0 m -105.61 141.71 36.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.0 p -96.15 144.17 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.57 -105.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm -124.96 126.73 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.87 166.84 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 4' ' ' THR . 9.4 t -134.4 -43.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -166.02 112.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 24.88 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -98.81 -38.85 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.964 HD21 ' HB1' ' A' ' 60' ' ' ALA . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.544 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD23 HG21 ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.874 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 14' ' ' ALA . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 73' ' ' PHE . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 13' ' ' LEU . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.518 ' O ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 35' ' ' ILE . 2.3 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' HB1' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.964 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 8' ' ' LEU . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.756 ' HB3' HG21 ' A' ' 79' ' ' VAL . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.73 HG21 HD23 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.33 158.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -110.94 149.96 41.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.7 3.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 115.99 28.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -172.91 129.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 pt -118.59 69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -156.09 146.81 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -105.4 172.84 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.5 p -147.23 154.59 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.25 94.74 2.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.27 2.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t 74.82 50.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -169.19 155.25 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 26.7 p -79.8 81.07 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.2 m -54.05 114.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.97 106.63 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.6 m -80.94 -59.42 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.4 t -142.85 139.04 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -176.68 77.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt -87.28 88.8 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.6 103.79 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 p -80.28 -43.55 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.3 m -83.4 99.52 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -101.76 39.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -110.35 -39.06 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 64' ' ' ILE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 13' ' ' LEU . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 10' ' ' VAL . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.0 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.0 HG23 ' HB3' ' A' ' 14' ' ' ALA . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 13' ' ' LEU . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HA ' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.875 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.875 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.649 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.844 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 8' ' ' LEU . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.68 ' HB3' HG21 ' A' ' 79' ' ' VAL . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 12' ' ' GLY . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 67' ' ' MET . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.15 123.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -97.6 148.32 34.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.07 142.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -106.12 136.04 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -136.23 179.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -82.81 36.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.42 126.24 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.1 t -135.61 135.64 40.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 139.57 47.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 p -59.55 167.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -125.93 126.95 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.2 t -115.13 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.9 t -64.52 94.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 38.76 82.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.22 48.25 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 30.9 t -49.15 -42.78 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -64.66 167.0 30.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttp 58.77 49.46 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.68 34.57 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.2 m -57.28 -48.05 79.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 ' CG2' ' A' ' 7' ' ' VAL . 38.5 m -146.68 151.7 37.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 81' ' ' LEU . 24.9 mttm -134.66 -39.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -61.64 -38.8 89.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG2' HG21 ' A' ' 4' ' ' THR . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 64' ' ' ILE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.903 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.903 HG11 HD22 ' A' ' 13' ' ' LEU . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 13' ' ' LEU . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 27' ' ' ILE . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 35' ' ' ILE . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.443 HG22 ' OE1' ' A' ' 55' ' ' GLU . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 50' ' ' ALA . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG13 HG12 ' A' ' 35' ' ' ILE . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.791 HD11 HD22 ' A' ' 8' ' ' LEU . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.886 ' HB3' HG21 ' A' ' 79' ' ' VAL . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' GLY . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.886 HG21 ' HB3' ' A' ' 67' ' ' MET . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 5' ' ' LYS . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.17 133.44 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -56.86 148.3 49.36 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.63 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.3 tpt -139.28 121.06 15.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -151.42 146.16 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.2 pt -130.64 35.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.38 28.94 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -85.15 84.08 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -170.48 167.13 8.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.28 146.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -166.97 161.41 14.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -164.39 142.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.1 t -103.44 151.22 23.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 42.8 p -120.82 9.23 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.89 98.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.7 m -48.23 165.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 99.5 p -68.14 176.82 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 114.35 106.33 2.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptm -114.62 132.92 56.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.78 -62.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p -70.77 145.89 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.5 m -46.07 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HG2' HD21 ' A' ' 81' ' ' LEU . 17.9 mtpp -105.42 28.92 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -95.12 -49.24 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.963 HD21 ' HB1' ' A' ' 60' ' ' ALA . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG12 ' HG ' ' A' ' 13' ' ' LEU . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 17' ' ' VAL . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 14' ' ' ALA . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' HA ' HD13 ' A' ' 32' ' ' ILE . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 32' ' ' ILE . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.74 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.74 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 35' ' ' ILE . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 8' ' ' LEU . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.868 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.829 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 67' ' ' MET . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HG2' ' A' ' 5' ' ' LYS . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 133.73 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.91 145.09 97.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 110.03 2.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.593 ' CE ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -89.08 108.86 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -154.51 131.7 11.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.593 HG23 ' CE ' ' A' ' 85' ' ' MET . 9.4 pt -117.26 33.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -135.87 136.43 40.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -172.25 112.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 p -139.98 154.72 47.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.26 76.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -176.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -104.01 128.69 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.8 p -144.86 160.31 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.2 p -160.37 164.48 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.4 m -144.15 168.84 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -146.19 102.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.4 p -151.13 118.4 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.4 m -44.01 -51.07 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 44.7 67.82 1.06 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ptm -79.58 141.32 36.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.05 146.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 m -88.65 -44.9 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -86.49 110.33 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.1 ttmm -106.46 45.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -119.68 -39.5 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 60' ' ' ALA . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.516 HG11 HD21 ' A' ' 13' ' ' LEU . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.714 HD22 HG11 ' A' ' 17' ' ' VAL . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.714 HG11 HD22 ' A' ' 13' ' ' LEU . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD11 HD11 ' A' ' 13' ' ' LEU . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.864 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.864 ' HD3' HG22 ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 23' ' ' HIS . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 32' ' ' ILE . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.709 HD13 ' CB ' ' A' ' 50' ' ' ALA . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.709 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 5' ' ' LYS . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.81 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 67' ' ' MET . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' A' ' 5' ' ' LYS . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.47 132.05 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 146.76 90.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.3 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttt -82.32 152.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -131.18 140.24 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.5 pt -130.13 111.14 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER 36.94 29.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ILE . 0.6 OUTLIER -76.91 82.02 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 60.0 m -134.86 -174.57 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 92' ' ' PRO . . . -100.07 100.46 2.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -69.84 -46.07 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -162.65 117.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.7 t -104.72 123.7 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 41.7 p 43.35 46.34 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 81.5 p -114.44 126.83 55.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -156.76 140.03 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 m -108.92 100.72 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -70.02 90.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -50.71 95.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -134.36 -53.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -99.71 -39.66 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . 40.9 p 34.32 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.2 m -101.24 91.59 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.58 54.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -131.64 -36.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 60' ' ' ALA . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 22' ' ' LEU . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.045 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.045 HG23 ' HB3' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 13' ' ' LEU . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.606 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.913 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.913 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 26' ' ' PHE . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 23' ' ' HIS . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.73 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 44' ' ' GLU . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.73 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.685 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.839 ' CB ' HG21 ' A' ' 79' ' ' VAL . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 8.6 t-20 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 13' ' ' LEU . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.839 HG21 ' CB ' ' A' ' 67' ' ' MET . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 81' ' ' LEU . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.05 102.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -46.01 152.44 0.77 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.41 13.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.64 111.97 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -161.29 146.15 13.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 pp -127.14 159.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -155.22 133.38 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.13 85.01 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -114.72 165.04 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.8 -160.92 10.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 129.0 16.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.4 p -78.97 144.23 34.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -93.79 169.08 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' -4' ' ' SER . 27.4 p -148.08 124.44 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -5' ' ' SER . 2.1 t -37.81 -56.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 159.92 -42.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -59.95 171.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -118.65 147.88 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -96.64 -51.41 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -45.04 137.33 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.7 176.04 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -69.98 -46.94 64.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -132.19 119.67 21.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.48 11.73 8.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 -96.14 -44.81 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' A' ' 60' ' ' ALA . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 13' ' ' LEU . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.739 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 14' ' ' ALA . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 13' ' ' LEU . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.526 HG22 ' OE1' ' A' ' 55' ' ' GLU . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' GLU . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.551 ' O ' HD22 ' A' ' 39' ' ' LEU . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.675 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' OE1' HG22 ' A' ' 33' ' ' THR . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.911 ' HB3' HG21 ' A' ' 79' ' ' VAL . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 81' ' ' LEU . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.11 106.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 150.13 1.38 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm -109.7 -178.78 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -125.43 153.79 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -131.87 19.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -76.28 148.73 37.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.66 -61.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 t -170.33 156.14 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.56 121.71 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.02 7.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -70.09 95.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.5 m -60.57 143.67 53.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.6 t -79.88 177.9 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 97.24 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.46 123.41 13.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.7 t -52.81 173.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -58.48 -46.03 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -140.45 -125.44 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt -124.21 156.34 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.63 162.46 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 4' ' ' THR . 38.4 m -121.58 163.38 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.567 ' N ' HG22 ' A' ' 3' ' ' THR . 1.5 m 61.9 54.1 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -94.32 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.24 35.53 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 13' ' ' LEU . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD22 HG11 ' A' ' 17' ' ' VAL . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 13' ' ' LEU . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.829 ' OD1' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.829 HG23 ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 27' ' ' ILE . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.878 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.878 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 26' ' ' PHE . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.707 HD13 ' HB1' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.632 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 38' ' ' PRO . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.596 HD11 HD22 ' A' ' 8' ' ' LEU . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.805 ' HB3' HG21 ' A' ' 79' ' ' VAL . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.54 134.97 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.04 149.72 23.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -160.87 141.46 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -106.59 145.89 31.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.3 pt -121.59 37.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -88.29 140.69 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -111.81 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -88.89 -46.21 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.98 144.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.23 28.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -122.71 -55.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -47.49 120.8 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.7 m -72.77 147.2 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 22.6 t -126.68 -44.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 119.27 124.42 3.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.44 88.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.0 m -113.29 102.71 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 133.65 112.77 1.34 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 96.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -164.87 137.03 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.78 70.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 61.7 tttt -78.84 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.9 -29.95 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD22 HD11 ' A' ' 64' ' ' ILE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 HD22 ' A' ' 13' ' ' LEU . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.427 HD21 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.909 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.909 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 35' ' ' ILE . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 32' ' ' ILE . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.9 mm100 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.545 HD13 ' CB ' ' A' ' 50' ' ' ALA . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 38' ' ' PRO . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.761 HG23 ' CD ' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.813 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 5' ' ' LYS . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.87 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 6.3 m120 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.908 ' HB3' HG21 ' A' ' 79' ' ' VAL . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.908 HG21 ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 5' ' ' LYS . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.89 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.98 152.63 2.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.4 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttt -63.9 151.34 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -143.28 119.14 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.604 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -112.74 164.08 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 175.8 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -157.28 142.87 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.9 t -136.12 131.46 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.12 83.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.44 24.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p -126.82 90.03 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -166.91 107.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 m -136.26 149.22 48.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 m -163.99 155.58 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.16 61.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.7 m -114.06 83.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.0 p -120.83 138.48 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 122.58 80.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttp -117.25 -64.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.32 136.51 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -74.3 -17.09 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.8 m -99.58 96.54 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 81' ' ' LEU . 3.2 mppt? -98.71 36.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -95.92 -40.56 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 64' ' ' ILE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD22 HG11 ' A' ' 17' ' ' VAL . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.972 HG23 ' HB3' ' A' ' 14' ' ' ALA . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 13' ' ' LEU . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 26' ' ' PHE . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD13 ' HB1' ' A' ' 50' ' ' ALA . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.435 ' C ' ' HG2' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.704 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 8' ' ' LEU . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.5 m120 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 12' ' ' GLY . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 67' ' ' MET . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 5' ' ' LYS . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.49 136.59 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -70.18 153.67 95.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.46 10.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.1 tpt 45.91 46.46 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -93.7 99.76 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 pt -101.14 35.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -133.42 151.91 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -85.13 107.92 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 m -67.79 172.3 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.96 148.51 14.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -173.56 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -160.33 130.06 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 p -56.12 -45.9 79.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.9 t -161.52 114.69 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 88.7 p -144.02 107.31 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -77.0 -153.45 5.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 27.0 p -87.5 85.08 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.2 t -131.41 113.34 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -126.44 -32.17 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt -99.34 -54.74 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.824 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 46.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -146.02 164.39 32.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.531 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 m -132.59 149.93 52.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 1.3 mptm? -117.85 -32.07 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.431 ' NH2' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -63.07 -24.78 68.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG23 HG21 ' A' ' 4' ' ' THR . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.995 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG11 HD21 ' A' ' 13' ' ' LEU . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 14' ' ' ALA . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 73' ' ' PHE . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 13' ' ' LEU . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 27' ' ' ILE . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.857 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.857 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG21 HD11 ' A' ' 35' ' ' ILE . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG12 HG13 ' A' ' 52' ' ' VAL . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 4.1 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.634 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 44' ' ' GLU . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.648 HG13 HG12 ' A' ' 35' ' ' ILE . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 21' ' ' VAL . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLY . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.41 HG21 ' CB ' ' A' ' 67' ' ' MET . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.87 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -79.37 152.27 75.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.533 0.683 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.5 mmm -41.41 151.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 91.12 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.1 pt -121.27 144.81 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -77.68 117.53 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.48 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -49.12 -50.08 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.73 61.72 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 169.31 19.33 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m -123.85 149.87 45.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.7 p -117.79 157.16 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.3 t -154.55 175.33 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 75.3 m -111.76 42.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.65 -171.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.6 p -163.59 135.76 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.7 m -157.43 162.12 38.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 128.31 50.72 0.14 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ptm -92.56 55.01 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 -47.32 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -77.96 158.29 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -56.11 129.42 39.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.737 ' HG2' HD21 ' A' ' 81' ' ' LEU . 40.5 mtpt -103.11 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -105.52 -44.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' HB1' ' A' ' 60' ' ' ALA . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 17' ' ' VAL . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.579 HG11 HD22 ' A' ' 13' ' ' LEU . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.636 HG22 ' OE1' ' A' ' 55' ' ' GLU . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 23' ' ' HIS . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 50' ' ' ALA . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 38' ' ' PRO . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 35' ' ' ILE . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.636 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.841 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.804 HD11 HD22 ' A' ' 8' ' ' LEU . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.507 HD11 ' CE ' ' A' ' 67' ' ' MET . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HG2' ' A' ' 5' ' ' LYS . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.96 155.31 40.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -98.09 147.42 33.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 106.21 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 86' ' ' ARG . 7.7 tpt -97.66 -41.61 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 85' ' ' MET . 22.6 mmt-85 -32.25 129.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -108.11 158.42 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -165.28 150.19 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -158.49 105.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.6 m -149.17 179.0 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 83.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -177.12 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -168.34 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.9 p -99.11 148.78 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.4 p -116.83 166.19 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 84.6 p -174.65 139.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.1 -136.15 2.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.49 158.44 20.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.6 m -121.67 146.1 47.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -138.81 -165.52 10.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm -72.13 148.73 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.8 158.07 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p -72.37 -21.77 61.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -151.65 106.4 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 81' ' ' LEU . 1.6 tppt? -77.28 51.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -129.13 -39.55 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 17' ' ' VAL . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 13' ' ' LEU . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 35' ' ' ILE . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.867 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 26' ' ' PHE . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.437 HD12 ' OD1' ' A' ' 19' ' ' ASP . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.796 HD13 ' CB ' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 44' ' ' GLU . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.968 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.035 HD11 HD22 ' A' ' 8' ' ' LEU . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.542 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.875 ' HB3' HG21 ' A' ' 79' ' ' VAL . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.424 HD11 ' HE3' ' A' ' 67' ' ' MET . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' A' ' 67' ' ' MET . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD11 ' HD3' ' A' ' 5' ' ' LYS . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.58 143.75 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -87.08 159.29 51.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.222 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -116.3 -179.91 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -109.98 159.17 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.448 HG23 ' CE ' ' A' ' 85' ' ' MET . 2.5 pp -133.56 172.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -119.6 118.83 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -121.34 147.42 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 m -116.59 -51.18 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.26 66.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.2 p -83.75 -52.65 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -97.67 -43.27 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.82 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -70.26 148.76 48.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 108.33 135.12 7.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.56 116.02 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.4 p -160.97 106.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.83 101.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.98 151.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.15 143.02 49.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -82.66 -42.76 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.28 132.81 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -101.57 39.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -109.74 -46.33 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.883 HD21 ' HB1' ' A' ' 60' ' ' ALA . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 13' ' ' LEU . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 10' ' ' VAL . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.576 HG11 HD22 ' A' ' 13' ' ' LEU . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.651 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 8' ' ' LEU . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.734 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 12' ' ' GLY . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 67' ' ' MET . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 160.53 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -80.15 154.06 74.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.03 11.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -62.54 117.56 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 17.5 ttm-85 -162.4 150.84 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.8 pt -123.06 113.86 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -169.33 128.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.62 77.11 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -114.41 177.61 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.96 71.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 140.57 43.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -114.92 153.05 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 m -122.18 171.32 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.518 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.9 t -99.29 93.47 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 45.3 p -93.53 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.7 -173.62 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 77.9 p -158.22 156.86 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 t -167.93 158.91 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 102.55 180.0 26.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -41.56 152.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' CB ' ' HE3' ' A' ' 5' ' ' LYS . . . -114.79 167.09 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -155.66 128.21 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.6 m 71.43 53.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 2' ' ' ALA . 44.0 mttt -81.46 42.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -113.5 -46.18 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 17' ' ' VAL . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.823 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 16' ' ' GLU . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 15' ' ' GLU . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 14' ' ' ALA . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 73' ' ' PHE . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.624 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.636 HD13 ' HB1' ' A' ' 50' ' ' ALA . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 44' ' ' GLU . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 39' ' ' LEU . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.898 HD11 HD22 ' A' ' 8' ' ' LEU . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 4.7 m120 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 79' ' ' VAL . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 77' ' ' ILE . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.823 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' GLY . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 67' ' ' MET . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.36 134.86 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -44.85 155.53 0.39 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.9 ptm -45.05 160.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -134.23 154.42 51.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -121.27 30.08 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -163.26 121.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.39 146.78 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -99.51 130.05 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.05 87.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 165.87 29.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.0 p -139.0 157.07 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -89.32 143.77 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.4 p -108.92 161.29 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.3 t -87.44 42.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -75.41 61.03 2.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -109.38 128.59 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 85.0 p -117.7 124.4 48.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -77.74 149.09 34.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.93 101.36 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.2 m -105.79 110.29 22.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 -69.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.6 35.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -110.31 -44.67 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.477 HG11 HD21 ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB2' ' NE ' ' A' ' 75' ' ' ARG . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.579 HG23 ' HB3' ' A' ' 14' ' ' ALA . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 13' ' ' LEU . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.588 ' CE1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.888 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.888 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 HD11 ' A' ' 35' ' ' ILE . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 HG21 ' A' ' 32' ' ' ILE . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 50' ' ' ALA . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 44' ' ' GLU . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 43' ' ' THR . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.8 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.661 ' NE ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.52 139.18 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -44.87 149.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.39 13.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 ttt -124.14 110.64 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 103.79 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.04 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -134.7 170.58 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -172.29 117.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 p -116.34 154.74 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.07 83.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -6.05 17.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 p -42.82 -46.74 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.8 m -116.21 135.77 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.7 m -135.26 167.58 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.5 t -98.43 172.23 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -115.16 -83.84 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.8 t 65.77 42.18 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.4 t -39.27 -46.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 132.71 -113.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt -61.93 97.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.69 128.91 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -144.37 135.16 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m 68.24 50.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.1 mmtp -83.27 51.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -126.79 -48.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.963 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 ' HB3' ' A' ' 14' ' ' ALA . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.889 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.889 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 46' ' ' HIS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.475 ' HB3' HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.963 HD11 HD22 ' A' ' 8' ' ' LEU . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.733 ' CB ' HG21 ' A' ' 79' ' ' VAL . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 67' ' ' MET . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 5' ' ' LYS . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.81 141.4 55.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 152.89 87.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.01 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.287 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ptm -62.0 156.59 20.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -124.43 153.1 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -121.23 147.67 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -111.59 -20.28 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.53 136.88 40.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -122.72 -53.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 92' ' ' PRO . . . 82.48 107.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 91' ' ' GLY . 53.9 Cg_endo -69.76 159.33 53.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.5 p -131.67 126.23 34.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -114.67 -60.92 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 53' ' ' GLU . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.92 HD21 ' HB1' ' A' ' 60' ' ' ALA . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 17' ' ' VAL . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG11 HD22 ' A' ' 13' ' ' LEU . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 26' ' ' PHE . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.53 HD13 ' CB ' ' A' ' 50' ' ' ALA . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 44' ' ' GLU . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 39' ' ' LEU . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.847 ' HG3' HG22 ' A' ' 7' ' ' VAL . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' OD2' ' A' ' 59' ' ' ASP . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.866 HD11 HD22 ' A' ' 8' ' ' LEU . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.698 ' CB ' HG21 ' A' ' 79' ' ' VAL . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 13' ' ' LEU . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.876 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.876 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 32' ' ' ILE . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 44' ' ' GLU . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD22 ' A' ' 39' ' ' LEU . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.801 ' CB ' HG21 ' A' ' 79' ' ' VAL . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 3.0 t-20 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' GLY . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.801 HG21 ' CB ' ' A' ' 67' ' ' MET . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 81' ' ' LEU . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 60' ' ' ALA . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 17' ' ' VAL . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.792 HG11 HD22 ' A' ' 13' ' ' LEU . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 13' ' ' LEU . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 26' ' ' PHE . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.489 HD11 HG21 ' A' ' 32' ' ' ILE . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 8' ' ' LEU . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.812 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 67' ' ' MET . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.964 HD21 ' HB1' ' A' ' 60' ' ' ALA . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.544 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD23 HG21 ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.874 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 14' ' ' ALA . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 73' ' ' PHE . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 13' ' ' LEU . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.544 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' HB1' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.964 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 8' ' ' LEU . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.756 ' HB3' HG21 ' A' ' 79' ' ' VAL . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.73 HG21 HD23 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 64' ' ' ILE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 13' ' ' LEU . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 10' ' ' VAL . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.0 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.0 HG23 ' HB3' ' A' ' 14' ' ' ALA . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 13' ' ' LEU . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HA ' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.875 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.875 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.649 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.844 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 8' ' ' LEU . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.68 ' HB3' HG21 ' A' ' 79' ' ' VAL . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 12' ' ' GLY . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 67' ' ' MET . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 64' ' ' ILE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.903 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.903 HG11 HD22 ' A' ' 13' ' ' LEU . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 13' ' ' LEU . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 27' ' ' ILE . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 35' ' ' ILE . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.443 HG22 ' OE1' ' A' ' 55' ' ' GLU . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.516 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.1 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 50' ' ' ALA . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG13 HG12 ' A' ' 35' ' ' ILE . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.791 HD11 HD22 ' A' ' 8' ' ' LEU . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.886 ' HB3' HG21 ' A' ' 79' ' ' VAL . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' GLY . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.886 HG21 ' HB3' ' A' ' 67' ' ' MET . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.963 HD21 ' HB1' ' A' ' 60' ' ' ALA . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG12 ' HG ' ' A' ' 13' ' ' LEU . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 17' ' ' VAL . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 14' ' ' ALA . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' HA ' HD13 ' A' ' 32' ' ' ILE . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 32' ' ' ILE . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.49 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 4.8 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.74 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.74 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 35' ' ' ILE . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 8' ' ' LEU . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.868 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.829 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 67' ' ' MET . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.842 0.354 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 60' ' ' ALA . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.516 HG11 HD21 ' A' ' 13' ' ' LEU . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.714 HD22 HG11 ' A' ' 17' ' ' VAL . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.714 HG11 HD22 ' A' ' 13' ' ' LEU . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD11 HD11 ' A' ' 13' ' ' LEU . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.864 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.864 ' HD3' HG22 ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 23' ' ' HIS . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 32' ' ' ILE . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 9.5 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.709 HD13 ' CB ' ' A' ' 50' ' ' ALA . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.709 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.81 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 67' ' ' MET . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 60' ' ' ALA . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 22' ' ' LEU . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.045 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.045 HG23 ' HB3' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 13' ' ' LEU . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.606 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.913 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.913 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 26' ' ' PHE . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 23' ' ' HIS . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.73 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 44' ' ' GLU . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.73 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.685 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 62' ' ' ALA . 2.4 m-80 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.839 ' CB ' HG21 ' A' ' 79' ' ' VAL . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.4 t30 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 13' ' ' LEU . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.839 HG21 ' CB ' ' A' ' 67' ' ' MET . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 81' ' ' LEU . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' A' ' 60' ' ' ALA . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 13' ' ' LEU . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.739 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 14' ' ' ALA . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 13' ' ' LEU . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.526 HG22 ' OE1' ' A' ' 55' ' ' GLU . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' GLU . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.551 ' O ' HD22 ' A' ' 39' ' ' LEU . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.675 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' OE1' HG22 ' A' ' 33' ' ' THR . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.911 ' HB3' HG21 ' A' ' 79' ' ' VAL . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 81' ' ' LEU . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 13' ' ' LEU . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD22 HG11 ' A' ' 17' ' ' VAL . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 13' ' ' LEU . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.829 ' OD1' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.829 HG23 ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 27' ' ' ILE . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.878 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.878 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 26' ' ' PHE . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.707 HD13 ' HB1' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.632 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 38' ' ' PRO . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.596 HD11 HD22 ' A' ' 8' ' ' LEU . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.805 ' HB3' HG21 ' A' ' 79' ' ' VAL . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD22 HD11 ' A' ' 64' ' ' ILE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 HD22 ' A' ' 13' ' ' LEU . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.427 HD21 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.909 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.909 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 35' ' ' ILE . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 32' ' ' ILE . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mm-40 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.545 HD13 ' CB ' ' A' ' 50' ' ' ALA . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 38' ' ' PRO . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.761 HG23 ' CD ' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.813 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.87 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 2.3 m-80 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.908 ' HB3' HG21 ' A' ' 79' ' ' VAL . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.908 HG21 ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 64' ' ' ILE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.711 HD22 HG11 ' A' ' 17' ' ' VAL . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.972 HG23 ' HB3' ' A' ' 14' ' ' ALA . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 13' ' ' LEU . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 26' ' ' PHE . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD13 ' HB1' ' A' ' 50' ' ' ALA . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.435 ' C ' ' HG2' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.704 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 8' ' ' LEU . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 2.3 m-80 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.8 t30 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 12' ' ' GLY . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 67' ' ' MET . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 53' ' ' GLU . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.995 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG11 HD21 ' A' ' 13' ' ' LEU . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 14' ' ' ALA . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 73' ' ' PHE . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 13' ' ' LEU . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 27' ' ' ILE . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.857 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.857 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG21 HD11 ' A' ' 35' ' ' ILE . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG12 HG13 ' A' ' 52' ' ' VAL . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.634 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 44' ' ' GLU . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.648 HG13 HG12 ' A' ' 35' ' ' ILE . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 7' ' ' VAL . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 21' ' ' VAL . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLY . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.41 HG21 ' CB ' ' A' ' 67' ' ' MET . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' HB1' ' A' ' 60' ' ' ALA . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 17' ' ' VAL . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.579 HG11 HD22 ' A' ' 13' ' ' LEU . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.636 HG22 ' OE1' ' A' ' 55' ' ' GLU . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 23' ' ' HIS . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.1 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 50' ' ' ALA . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 38' ' ' PRO . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 35' ' ' ILE . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.636 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.841 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.804 HD11 HD22 ' A' ' 8' ' ' LEU . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.507 HD11 ' CE ' ' A' ' 67' ' ' MET . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 17' ' ' VAL . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 13' ' ' LEU . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 35' ' ' ILE . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.867 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 26' ' ' PHE . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.508 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.796 HD13 ' CB ' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 44' ' ' GLU . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.968 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.035 HD11 HD22 ' A' ' 8' ' ' LEU . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.875 ' HB3' HG21 ' A' ' 79' ' ' VAL . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.424 HD11 ' HE3' ' A' ' 67' ' ' MET . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' A' ' 67' ' ' MET . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.883 HD21 ' HB1' ' A' ' 60' ' ' ALA . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 13' ' ' LEU . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 10' ' ' VAL . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.576 HG11 HD22 ' A' ' 13' ' ' LEU . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.651 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 6.7 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 8' ' ' LEU . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.734 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 12' ' ' GLY . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 67' ' ' MET . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 17' ' ' VAL . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.823 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 16' ' ' GLU . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 15' ' ' GLU . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 14' ' ' ALA . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 73' ' ' PHE . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.624 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.51 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.51 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 3.8 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.636 HD13 ' HB1' ' A' ' 50' ' ' ALA . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 44' ' ' GLU . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 39' ' ' LEU . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.898 HD11 HD22 ' A' ' 8' ' ' LEU . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 1.8 m-80 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 79' ' ' VAL . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 77' ' ' ILE . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.823 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' GLY . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 67' ' ' MET . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.477 HG11 HD21 ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB2' ' NE ' ' A' ' 75' ' ' ARG . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.579 HG23 ' HB3' ' A' ' 14' ' ' ALA . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 13' ' ' LEU . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.588 ' CE1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.888 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.888 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 HD11 ' A' ' 35' ' ' ILE . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 HG21 ' A' ' 32' ' ' ILE . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 50' ' ' ALA . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 44' ' ' GLU . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 43' ' ' THR . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.8 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.661 ' NE ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.963 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 ' HB3' ' A' ' 14' ' ' ALA . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.889 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.889 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 46' ' ' HIS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.475 ' HB3' HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.963 HD11 HD22 ' A' ' 8' ' ' LEU . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.733 ' CB ' HG21 ' A' ' 79' ' ' VAL . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 67' ' ' MET . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.7 p -167.22 165.42 15.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 t -172.1 153.9 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.28 106.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.5 p -86.11 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.9 m -38.08 -53.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.27 -132.72 3.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt -128.56 118.96 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.26 160.98 14.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 36.3 p -121.17 23.89 10.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 m -89.08 54.34 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -105.19 30.94 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 3' ' ' THR . 0.6 OUTLIER -105.56 -42.8 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 53' ' ' GLU . 59.0 t -76.17 111.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD21 ' HB1' ' A' ' 60' ' ' ALA . 16.7 mt -95.92 150.63 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.39 120.16 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.0 128.45 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.61 169.3 16.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.27 27.15 73.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 17' ' ' VAL . 73.8 mt -73.6 163.34 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -91.58 176.07 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.34 -12.03 59.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -99.7 -22.05 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG11 HD22 ' A' ' 13' ' ' LEU . 88.3 t -70.15 132.36 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -143.06 -175.56 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -31.23 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -50.91 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.09 -40.86 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.04 -36.43 75.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 24' ' ' ALA . 1.1 t-80 -58.5 -62.55 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 23' ' ' HIS . . . -65.08 -9.99 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.76 -21.77 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -118.4 -0.31 11.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.8 tp -59.88 -31.68 10.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.6 Cg_exo -60.49 -54.33 2.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 46.6 m-85 -42.93 -59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.05 -135.36 2.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.92 91.45 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 26' ' ' PHE . 68.4 mt -50.09 127.47 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.8 p -89.04 -34.57 16.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -167.56 156.31 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -133.5 142.42 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -122.84 138.69 54.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD13 ' CB ' ' A' ' 50' ' ' ALA . 19.3 mm -125.5 126.61 25.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.72 106.99 1.75 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 44' ' ' GLU . 70.3 mt -132.54 167.49 19.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.28 -179.61 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 16.0 p90 -100.07 -14.74 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 45.4 mt-10 -96.74 -49.83 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.8 p -104.62 -31.79 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 39' ' ' LEU . 23.1 mt-10 62.5 39.69 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -112.77 156.3 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -100.66 156.94 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 9.1 mmp_? -88.46 -37.6 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.64 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 15.4 p90 -175.1 162.98 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -161.86 -179.17 6.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -130.05 124.97 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -114.25 138.2 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.847 ' HG3' HG22 ' A' ' 7' ' ' VAL . 4.0 mt-10 -102.9 147.06 27.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -117.28 138.93 51.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.27 -31.78 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' OD2' ' A' ' 59' ' ' ASP . 31.5 mt -131.67 176.61 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.73 -44.59 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.086 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 10.3 pt-20 -55.99 -45.82 78.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 69.5 m-20 -57.71 -40.38 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -63.02 -51.67 65.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.34 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.55 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.866 HD11 HD22 ' A' ' 8' ' ' LEU . 73.1 mt -68.04 -56.39 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 -30.33 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -92.11 -74.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.698 ' CB ' HG21 ' A' ' 79' ' ' VAL . 87.4 mmm -42.06 -26.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.6 t-20 -49.81 121.04 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 53.66 35.78 22.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.7 p -79.7 -176.05 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -119.56 107.89 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -125.78 130.61 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 52.21 41.56 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.86 29.09 73.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -139.51 159.95 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.8 m -101.37 105.02 16.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 pt -92.65 153.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -110.25 142.23 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CB ' ' A' ' 67' ' ' MET . 15.7 t -129.76 134.23 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -166.26 162.05 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -53.57 135.24 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 129.97 32.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -67.73 152.38 96.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.58 3.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -170.27 105.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 pt -116.46 168.14 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -147.78 166.14 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -128.49 132.18 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 p -87.52 127.65 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.7 160.27 32.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.06 27.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.5 p -130.22 160.52 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 t 37.85 41.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.4 p -159.85 116.06 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 11.3 m -70.82 -56.18 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 96.28 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 m -82.04 -60.72 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.1 m -147.33 169.36 19.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.77 128.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ptm -86.57 137.9 32.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.11 167.76 28.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 p -109.4 -47.1 3.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.26 139.07 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -123.22 -24.48 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -75.7 -50.37 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -76.02 120.88 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 20.2 mt -101.77 156.74 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -111.75 141.89 44.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -130.39 133.8 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.81 169.53 22.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 68.44 38.9 87.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 77' ' ' ILE . 91.4 mt -91.47 158.59 16.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -179.33 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 -8.87 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -97.83 -16.0 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 13' ' ' LEU . 80.2 t -74.61 137.79 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.25 -176.55 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -48.03 -34.75 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -67.83 -56.15 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.58 -43.45 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.78 -28.03 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.1 t-80 -74.51 -51.73 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.52 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.31 -16.86 44.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 m-85 -119.43 0.03 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.876 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.74 -31.7 10.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.654 0.74 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.876 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.8 Cg_exo -61.53 -51.53 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -47.08 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.82 -147.32 4.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -109.19 87.65 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 59.6 mt -47.74 115.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -78.34 -43.99 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -158.02 164.47 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 32' ' ' ILE . 32.3 mt -141.0 137.74 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -115.21 124.71 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mm -113.91 117.89 43.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 110.51 2.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 44' ' ' GLU . 44.9 mt -124.44 166.19 16.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.76 172.45 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -97.6 -5.09 36.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -113.27 -43.64 3.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -106.45 -29.6 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD22 ' A' ' 39' ' ' LEU . 10.4 mt-10 66.08 36.95 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -114.39 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 48' ' ' GLY . 11.4 p80 -103.21 148.41 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -82.7 42.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 63.48 51.93 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 8.5 p90 -168.64 165.44 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -175.16 -176.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -131.82 137.36 48.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.25 138.56 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -102.32 131.26 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 8' ' ' LEU . 5.0 m-85 -105.85 146.6 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.21 -39.2 85.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.23 165.45 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.24 -52.69 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.69 -53.01 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -44.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.98 -53.13 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.81 -47.7 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.17 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.34 -39.25 69.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -68.5 -54.04 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.88 -30.42 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -90.85 -74.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.801 ' CB ' HG21 ' A' ' 79' ' ' VAL . 78.8 mmm -41.53 -34.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 3.0 t-20 -46.85 115.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.11 42.04 22.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.7 p -94.99 169.81 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -102.04 113.4 26.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 tp -129.53 120.78 25.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 58.84 42.51 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.11 35.22 91.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -148.95 165.46 31.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.2 m -103.92 127.53 51.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' GLY . 25.7 pt -117.28 155.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -113.32 135.15 54.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.801 HG21 ' CB ' ' A' ' 67' ' ' MET . 47.5 t -122.43 138.64 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.39 174.35 10.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 81' ' ' LEU . 18.6 mt -66.88 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.62 123.45 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -58.74 149.68 62.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.76 3.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -59.17 149.55 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -142.86 121.29 12.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.9 pt -89.09 146.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -106.31 128.69 54.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 91' ' ' GLY . 3.0 pp20? -168.89 155.23 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.3 p -86.15 -47.42 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' N ' ' OE1' ' A' ' 89' ' ' GLU . . . 38.03 76.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.2 p -163.52 133.64 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 m -133.94 99.15 4.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.3 p -138.43 126.43 22.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 94.8 p -160.78 145.17 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.58 169.22 19.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.6 p -56.08 175.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -83.13 -60.15 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -175.47 124.36 0.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt -81.09 -61.72 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.04 165.64 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.6 p -76.81 -47.11 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -93.2 110.73 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 19.2 mtpp -113.21 32.41 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -99.43 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.1 t -78.67 120.68 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 60' ' ' ALA . 40.2 mt -105.28 137.22 43.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.3 t80 -97.3 122.99 40.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.92 130.37 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.27 174.61 18.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.14 28.43 72.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 17' ' ' VAL . 61.5 mt -67.56 174.19 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -92.04 -177.4 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -84.45 -16.72 41.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -112.51 31.22 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.792 HG11 HD22 ' A' ' 13' ' ' LEU . 93.5 t -120.72 132.36 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -148.93 -177.77 5.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 20' ' ' LYS . 9.0 p-10 -42.07 -36.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -67.86 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.62 -45.03 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 13' ' ' LEU . 35.9 mt -68.41 -41.39 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' HA ' HD13 ' A' ' 32' ' ' ILE . 2.6 t-80 -51.56 -57.75 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -19.16 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 -19.59 40.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -118.44 0.02 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.893 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.0 tp -59.91 -31.73 10.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.893 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.42 -49.9 8.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 64.0 m-85 -48.95 -54.78 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -141.21 3.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -114.15 89.96 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 26' ' ' PHE . 49.1 mt -51.61 100.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -52.63 -48.48 66.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.71 159.93 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.489 HD11 HG21 ' A' ' 32' ' ' ILE . 70.0 mt -133.52 139.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -118.77 135.65 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 50' ' ' ALA . 25.5 mm -122.17 116.68 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.75 121.71 8.4 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -134.79 157.07 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.35 172.42 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -96.44 -3.61 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -116.75 -35.84 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -110.55 -20.55 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 48.77 33.39 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -114.56 160.57 19.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -106.0 155.24 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 36.6 ttt-85 -87.06 42.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.73 50.79 63.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.1 p90 -166.61 165.03 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.97 -176.87 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -131.21 119.96 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.8 t -106.87 120.36 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -92.25 123.22 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -92.04 163.96 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.23 -39.5 94.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.54 175.95 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -77.34 -51.53 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.61 -66.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -40.82 -47.77 2.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.52 -54.82 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.3 -46.52 55.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.36 -42.21 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 8' ' ' LEU . 76.3 mt -65.67 -60.05 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -39.24 -27.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.6 m-80 -99.4 -73.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.812 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.7 mmm -39.75 -51.8 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.7 p-10 -36.21 115.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 64.85 42.08 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 67' ' ' MET . 12.8 m -99.26 168.96 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -100.49 109.34 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.93 117.57 24.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 61.44 37.27 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.58 23.86 76.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 44.8 mtt-85 -133.6 165.18 25.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.6 m -105.54 99.38 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.6 pt -87.56 155.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -113.9 134.67 54.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 67' ' ' MET . 48.1 t -124.28 136.1 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -169.32 160.68 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.82 138.49 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.31 121.48 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.34 146.98 98.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 108.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -95.17 171.15 8.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -138.04 139.59 39.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.21 131.78 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.27 110.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -116.54 134.37 54.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 47.8 t -77.69 -58.49 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . 36.1 72.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.57 9.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -97.59 84.01 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 p -154.17 147.73 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.7 p -42.72 128.81 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 38.8 m -119.81 166.54 13.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.44 58.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 39.0 m -105.61 141.71 36.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.0 p -96.15 144.17 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.57 -105.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm -124.96 126.73 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.87 166.84 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 4' ' ' THR . 9.4 t -134.4 -43.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -166.02 112.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 24.88 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -98.81 -38.85 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.23 118.56 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.964 HD21 ' HB1' ' A' ' 60' ' ' ALA . 29.1 mt -107.9 132.17 53.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 3.5 t80 -91.74 124.37 35.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.74 138.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.27 173.87 21.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.544 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.85 33.07 84.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD23 HG21 ' A' ' 77' ' ' ILE . 82.1 mt -82.04 179.19 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.874 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.84 -178.67 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -86.34 -19.7 29.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.99 -19.16 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 14' ' ' ALA . 94.8 t -68.1 133.18 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.31 -179.66 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -41.75 -35.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 73' ' ' PHE . 49.1 t -53.38 -44.59 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 13' ' ' LEU . 36.0 mt -65.81 -35.61 81.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.5 t-80 -61.25 -53.71 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.12 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.31 -19.79 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.0 m-85 -117.89 0.14 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.7 tp -59.82 -31.8 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -60.57 -59.51 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 71.4 m-85 -37.52 -66.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.55 -146.34 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.35 91.66 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.32 121.15 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 72.1 p -82.36 -44.7 15.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' THR . 10.7 m-20 -161.52 151.23 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.544 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 58.7 mt -126.77 151.35 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -130.7 129.14 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' HB1' ' A' ' 50' ' ' ALA . 41.9 mm -119.19 119.37 31.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.733 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.2 Cg_endo -69.72 120.6 7.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -140.61 163.85 31.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.91 -177.03 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -105.26 -13.16 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.89 -20.11 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -123.89 -27.16 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 47.33 30.5 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -116.13 144.98 43.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -93.03 162.62 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -94.38 -50.19 5.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.02 54.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 55.5 p90 -173.29 158.7 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -166.87 -176.51 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -130.05 130.22 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -116.65 133.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -98.38 133.84 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.61 147.76 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -56.82 -36.73 70.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt -130.44 165.98 21.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.37 26.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -54.0 -43.87 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.95 -42.87 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.964 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.82 -50.38 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.78 -45.78 70.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.3 81.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 8' ' ' LEU . 81.8 mt -64.65 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -39.92 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.2 m-80 -98.07 -71.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.756 ' HB3' HG21 ' A' ' 79' ' ' VAL . 70.1 mmm -39.72 -52.42 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' MET . 2.5 p-10 -35.18 117.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 64.57 42.95 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' MET . 2.7 m -94.44 176.81 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -114.37 104.7 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.8 tp -123.66 143.78 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.0 m-85 44.67 31.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.78 33.61 71.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.76 163.65 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -96.85 129.42 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.73 HG21 HD23 ' A' ' 13' ' ' LEU . 25.9 pt -119.74 152.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -109.55 132.41 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -124.96 137.58 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.46 178.73 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 mt -70.91 138.46 50.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.33 158.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -110.94 149.96 41.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.7 3.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 115.99 28.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -172.91 129.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 pt -118.59 69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -156.09 146.81 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -105.4 172.84 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.5 p -147.23 154.59 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.25 94.74 2.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.27 2.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t 74.82 50.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -169.19 155.25 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 26.7 p -79.8 81.07 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.2 m -54.05 114.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.97 106.63 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 19.6 m -80.94 -59.42 2.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.4 t -142.85 139.04 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -176.68 77.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt -87.28 88.8 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.6 103.79 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 p -80.28 -43.55 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.3 m -83.4 99.52 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -101.76 39.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -110.35 -39.06 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.57 116.51 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 64' ' ' ILE . 43.7 mt -102.15 139.58 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -98.56 127.01 44.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 13' ' ' LEU . 99.8 t -115.97 134.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.83 170.7 21.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 62.97 35.84 92.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 10' ' ' VAL . 74.4 mt -81.15 -177.97 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.0 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -93.64 173.9 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.06 -21.58 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.0 HG23 ' HB3' ' A' ' 14' ' ' ALA . 83.6 t -63.98 123.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -138.2 175.74 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.19 -31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.35 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -55.16 -38.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 13' ' ' LEU . 45.9 mt -74.32 -40.39 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HA ' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -57.05 -53.87 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -23.11 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -14.75 52.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -119.71 0.23 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.875 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.86 -31.78 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.875 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.0 Cg_exo -60.09 -58.99 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.1 m-85 -39.47 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.82 -147.22 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.22 103.39 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.769 0.319 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' HIS . 32.7 mt -61.62 113.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.6 p -77.26 -38.2 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -169.98 147.33 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.5 mt -120.99 140.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -114.81 125.85 54.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' CB ' ' A' ' 50' ' ' ALA . 14.3 mm -123.67 115.79 28.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.582 0.706 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.7 2.37 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.7 mt -131.24 156.21 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HA ' ' A' ' 44' ' ' GLU . 7.7 t0 -82.08 -174.66 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -105.81 -28.81 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -80.71 -40.45 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.2 p -119.37 -32.51 4.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HA ' ' N ' ' A' ' 40' ' ' ASP . 9.8 mt-10 63.83 40.75 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.92 154.3 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -103.22 151.48 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmt-85 -81.1 -41.72 22.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 150.68 48.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -170.82 163.29 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.649 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.8 -178.71 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.49 124.31 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -108.94 131.78 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -97.34 130.14 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.88 153.52 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -62.61 -39.58 94.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.4 mt -129.02 166.69 18.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.04 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -46.78 -51.87 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.65 -39.93 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.844 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -60.23 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.99 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.96 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -59.2 -39.77 83.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 8' ' ' LEU . 88.5 mt -64.9 -57.17 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.26 -29.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -93.82 -74.91 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.68 ' HB3' HG21 ' A' ' 79' ' ' VAL . 83.2 mmm -41.34 -29.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 2.4 t-20 -51.6 110.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 61.16 39.93 15.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -85.63 -176.29 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -115.66 104.9 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 tp -128.38 130.12 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.6 m-85 62.87 32.66 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.2 21.29 75.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp85 -139.82 172.78 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.6 m -105.92 130.99 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 12' ' ' GLY . 41.9 pt -113.21 160.61 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -113.82 125.43 54.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 67' ' ' MET . 45.7 t -120.96 143.12 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -173.8 165.02 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.07 136.95 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.15 123.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -97.6 148.32 34.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.07 142.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -106.12 136.04 46.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -136.23 179.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -82.81 36.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.42 126.24 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.1 t -135.61 135.64 40.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 139.57 47.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 p -59.55 167.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -125.93 126.95 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.2 t -115.13 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.9 t -64.52 94.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 38.76 82.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.22 48.25 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 30.9 t -49.15 -42.78 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -64.66 167.0 30.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttp 58.77 49.46 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.68 34.57 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.2 m -57.28 -48.05 79.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 ' CG2' ' A' ' 7' ' ' VAL . 38.5 m -146.68 151.7 37.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HA ' HD22 ' A' ' 81' ' ' LEU . 24.9 mttm -134.66 -39.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -61.64 -38.8 89.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG2' HG21 ' A' ' 4' ' ' THR . 22.4 t -75.64 104.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 64' ' ' ILE . 23.9 mt -88.92 142.55 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 124.63 45.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.07 134.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.6 169.75 23.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.74 34.55 72.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.903 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -84.89 178.62 7.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -106.14 -174.7 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -82.05 -21.85 36.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -94.79 -7.81 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.903 HG11 HD22 ' A' ' 13' ' ' LEU . 76.7 t -86.65 118.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -132.91 -176.58 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.41 -29.74 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -49.54 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.01 -41.15 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 13' ' ' LEU . 25.2 mt -69.47 -38.53 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 27' ' ' ILE . 1.6 t-80 -59.86 -57.92 10.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -22.01 65.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.54 -21.6 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -112.68 1.45 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.88 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.88 -31.8 10.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.88 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.14 -59.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 28.8 m-85 -37.14 -72.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.54 -147.16 5.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.18 82.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 35' ' ' ILE . 80.7 mt -42.14 128.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.443 HG22 ' OE1' ' A' ' 55' ' ' GLU . 52.6 p -93.04 -40.29 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -162.25 162.07 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 41.0 mt -141.96 142.14 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.516 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.1 mp0 -121.93 134.37 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 50' ' ' ALA . 13.6 mm -118.12 122.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.79 101.71 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -125.87 160.43 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -93.69 173.49 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.24 -3.86 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -108.59 -45.58 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.4 p -105.67 -30.91 9.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 60.15 36.56 21.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.18 147.42 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -91.81 147.93 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 1.1 tmt_? -77.92 -33.62 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 146.12 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 27.3 p90 -174.15 161.02 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -165.53 177.63 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.83 135.16 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG13 HG12 ' A' ' 35' ' ' ILE . 27.2 t -122.36 134.15 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -94.23 147.43 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-85 -120.85 126.56 50.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.8 tp10 -42.23 -43.61 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -120.66 177.24 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -88.55 -54.84 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.62 -66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -41.07 -50.23 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -49.68 -54.48 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.34 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.91 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -68.19 -39.5 82.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.791 HD11 HD22 ' A' ' 8' ' ' LEU . 83.2 mt -65.65 -57.69 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.62 -25.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.78 -74.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.886 ' HB3' HG21 ' A' ' 79' ' ' VAL . 47.9 mmm -42.58 -29.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -50.36 112.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 60.59 41.18 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m -87.87 -177.18 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -114.39 103.5 11.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 21.1 tp -122.9 124.56 43.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 62.19 34.03 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.62 18.37 73.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' LEU . 2.7 ptp85 -137.78 153.17 49.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.6 m -81.93 141.75 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' GLY . 17.9 pt -125.5 161.52 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -116.91 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.886 HG21 ' HB3' ' A' ' 67' ' ' MET . 40.8 t -125.3 133.27 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -169.07 165.41 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 5' ' ' LYS . 83.3 mt -53.87 133.09 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.17 133.44 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -56.86 148.3 49.36 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.63 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.3 tpt -139.28 121.06 15.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -151.42 146.16 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.2 pt -130.64 35.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.38 28.94 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -85.15 84.08 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -170.48 167.13 8.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.28 146.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -166.97 161.41 14.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -164.39 142.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.1 t -103.44 151.22 23.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 42.8 p -120.82 9.23 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.89 98.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.7 m -48.23 165.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 99.5 p -68.14 176.82 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 114.35 106.33 2.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptm -114.62 132.92 56.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.78 -62.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p -70.77 145.89 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.5 m -46.07 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HG2' HD21 ' A' ' 81' ' ' LEU . 17.9 mtpp -105.42 28.92 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -95.12 -49.24 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.53 117.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.963 HD21 ' HB1' ' A' ' 60' ' ' ALA . 21.3 mt -100.16 143.81 29.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.23 138.96 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG12 ' HG ' ' A' ' 13' ' ' LEU . 58.2 t -122.82 137.8 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.37 166.09 23.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.98 40.94 99.56 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 17' ' ' VAL . 33.2 mt -89.42 152.96 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.74 152.89 42.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.61 -9.19 24.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -100.95 -22.23 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 14' ' ' ALA . 70.4 t -69.28 123.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 2.6 p-10 -133.91 177.7 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -42.67 -36.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 44.5 pttt -67.17 -44.1 80.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 58.1 t -70.07 -43.16 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.39 -38.81 81.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' HA ' HD13 ' A' ' 32' ' ' ILE . 1.8 t-80 -62.06 -47.96 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.13 -21.77 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.76 -15.59 41.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.6 m-85 -117.45 0.75 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.91 -31.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 37.0 Cg_exo -59.5 -56.72 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 33.8 m-85 -43.26 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.93 -145.41 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.44 96.88 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 23' ' ' HIS . 31.6 mt -61.65 93.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.3 p -53.53 -42.58 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -165.23 165.88 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 32' ' ' ILE . 60.4 mt -138.86 149.15 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.49 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 4.8 mp0 -121.82 124.07 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.74 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.3 mm -116.25 116.22 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.8 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.47 164.87 20.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.79 -179.73 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 5.2 p90 -99.69 -25.0 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 11.7 mm-40 -100.05 -38.98 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p -103.78 -34.25 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 58.49 33.72 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -117.64 137.21 52.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.39 145.93 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -82.34 -39.9 22.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.28 51.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 38' ' ' PRO . 9.7 p90 -166.42 159.11 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.74 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.7 -179.38 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.6 134.28 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 35' ' ' ILE . 26.4 t -120.11 133.2 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.07 146.82 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.6 m-85 -119.54 137.53 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -50.52 -36.27 33.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 mt -133.63 173.93 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.46 -56.71 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -40.17 -63.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -43.29 -49.28 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.963 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -52.17 -54.92 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.95 -44.03 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.66 97.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.0 -42.56 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.683 HD11 HD22 ' A' ' 8' ' ' LEU . 73.8 mt -62.09 -56.06 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -48.64 -26.61 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.69 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.868 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.2 mmm -39.1 -36.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -45.29 117.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 56.97 43.74 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 -177.75 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -114.74 117.28 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -136.99 121.05 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 62.58 43.46 7.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.65 76.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -145.2 168.48 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.6 m -105.87 115.33 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.829 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.8 pt -102.24 153.73 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -107.95 144.37 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 67' ' ' MET . 95.7 t -135.28 135.91 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -170.77 165.39 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HG2' ' A' ' 5' ' ' LYS . 94.3 mt -52.47 136.86 31.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 133.73 56.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.91 145.09 97.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 110.03 2.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.593 ' CE ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -89.08 108.86 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -154.51 131.7 11.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.593 HG23 ' CE ' ' A' ' 85' ' ' MET . 9.4 pt -117.26 33.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -135.87 136.43 40.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -172.25 112.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 p -139.98 154.72 47.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.26 76.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -176.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -104.01 128.69 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.8 p -144.86 160.31 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 94.2 p -160.37 164.48 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.4 m -144.15 168.84 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -146.19 102.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.4 p -151.13 118.4 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.4 m -44.01 -51.07 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 44.7 67.82 1.06 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ptm -79.58 141.32 36.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.05 146.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 m -88.65 -44.9 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -86.49 110.33 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.1 ttmm -106.46 45.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -119.68 -39.5 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.5 117.48 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 60' ' ' ALA . 27.9 mt -99.91 147.04 25.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -107.89 123.7 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.516 HG11 HD21 ' A' ' 13' ' ' LEU . 59.8 t -110.33 131.29 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.9 163.18 23.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 71.65 34.9 62.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.714 HD22 HG11 ' A' ' 17' ' ' VAL . 93.7 mt -79.67 178.53 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.48 173.56 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 -12.35 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -99.79 -19.05 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.714 HG11 HD22 ' A' ' 13' ' ' LEU . 38.9 t -77.77 137.28 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -154.27 174.19 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -35.8 -39.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.87 -59.43 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.49 -45.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD11 HD11 ' A' ' 13' ' ' LEU . 30.3 mt -67.23 -28.08 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 20.1 t-80 -68.03 -61.05 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -10.97 59.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.48 -20.35 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 5.2 m-85 -119.6 -0.41 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.864 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.1 tp -59.92 -31.79 10.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.864 ' HD3' HG22 ' A' ' 27' ' ' ILE . 24.1 Cg_exo -65.58 -52.01 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' SD ' ' A' ' 67' ' ' MET . 90.5 m-85 -58.47 -31.33 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -171.07 138.16 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ILE . 43.0 m-20 -60.7 75.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 23' ' ' HIS . 46.1 mt -36.12 119.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.2 p -96.66 -31.42 12.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -155.2 151.6 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 32' ' ' ILE . 64.6 mt -137.34 147.01 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 9.5 mp0 -124.49 128.67 49.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.709 HD13 ' CB ' ' A' ' 50' ' ' ALA . 18.0 mm -124.64 121.64 25.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 109.96 2.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.8 149.66 45.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.78 173.89 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -101.68 -3.5 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -121.06 -34.63 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -111.16 -21.38 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 54.76 37.17 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -115.52 153.92 30.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.4 OUTLIER -103.3 150.77 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.48 -55.4 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.37 51.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -173.92 168.71 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.709 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -173.56 -179.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -127.38 129.71 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.06 135.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -102.21 123.88 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -94.64 155.02 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.64 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -122.58 -177.25 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.06 -49.95 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.72 -53.34 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -52.89 -47.19 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -50.53 -53.51 29.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 5' ' ' LYS . . . -54.55 -42.82 71.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.66 -35.48 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.41 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 8' ' ' LEU . 55.6 mt -62.38 -54.91 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -49.64 -19.99 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' MET . 3.3 m-80 -104.49 -74.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.81 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.2 mmm -36.32 -41.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.6 113.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 63.08 39.47 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' MET . 45.7 p -84.18 178.45 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -114.11 117.75 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -135.68 138.8 43.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 46.28 31.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 36.85 62.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 170.63 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.2 m -105.27 125.3 50.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 12' ' ' GLY . 20.6 pt -115.97 147.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -102.97 144.67 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 67' ' ' MET . 19.1 t -135.06 135.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -164.07 163.77 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' A' ' 5' ' ' LYS . 56.0 mt -56.72 138.41 52.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.47 132.05 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 146.76 90.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.3 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttt -82.32 152.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -131.18 140.24 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.5 pt -130.13 111.14 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER 36.94 29.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ILE . 0.6 OUTLIER -76.91 82.02 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 60.0 m -134.86 -174.57 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 92' ' ' PRO . . . -100.07 100.46 2.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -69.84 -46.07 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -162.65 117.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.7 t -104.72 123.7 48.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 41.7 p 43.35 46.34 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 81.5 p -114.44 126.83 55.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -156.76 140.03 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 m -108.92 100.72 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -70.02 90.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -50.71 95.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -134.36 -53.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -99.71 -39.66 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . 40.9 p 34.32 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.2 m -101.24 91.59 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.58 54.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -131.64 -36.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.02 122.23 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 60' ' ' ALA . 23.5 mt -98.43 138.52 35.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -99.28 128.19 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.07 129.95 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.04 165.89 22.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.16 28.04 69.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 22' ' ' LEU . 80.5 mt -75.04 175.2 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.045 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.19 -16.74 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.39 -13.21 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.045 HG23 ' HB3' ' A' ' 14' ' ' ALA . 46.6 t -74.65 142.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.65 179.85 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.76 -33.95 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -67.36 -49.91 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.34 -45.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 13' ' ' LEU . 32.2 mt -70.46 -29.25 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.1 t-80 -63.26 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.39 -14.37 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.06 -19.15 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.606 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.1 m-85 -116.38 0.76 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.913 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.92 -31.76 10.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.913 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.2 -49.25 9.82 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 88.3 m-85 -50.99 -71.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.27 -145.28 5.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ILE . 10.6 t0 -117.75 75.19 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 26' ' ' PHE . 86.7 mt -35.81 120.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -83.24 -43.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -162.47 146.01 11.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 23' ' ' HIS . 78.4 mt -121.47 145.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -124.34 138.87 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.73 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.2 mm -124.42 120.53 26.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.78 97.57 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 44' ' ' GLU . 25.5 mt -111.14 165.46 11.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -97.95 178.77 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -103.55 -5.53 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -26.68 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 p -118.31 -15.25 9.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.8 mm-40 46.29 29.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -113.66 159.46 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -102.71 156.35 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.08 28.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 50.64 5.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 1.7 p90 -169.94 166.49 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.73 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.71 -175.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -134.48 137.69 44.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.54 137.48 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -102.5 117.19 34.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-85 -88.36 155.83 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.81 -25.4 64.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -142.19 175.47 9.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.03 -41.54 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.82 -50.29 72.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.93 -37.69 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -61.69 -52.71 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.96 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.2 -42.36 98.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.73 -38.06 83.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.685 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.25 -55.47 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.08 -14.26 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 62' ' ' ALA . 2.4 m-80 -104.12 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.839 ' CB ' HG21 ' A' ' 79' ' ' VAL . 61.5 mmm -47.05 -35.77 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 1.4 t30 -39.75 116.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 60.57 42.36 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -91.13 -175.97 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.89 111.15 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 tp -126.62 122.57 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 56.85 36.39 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.42 31.07 71.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -140.82 152.38 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 m -95.62 100.19 11.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 13' ' ' LEU . 21.2 pt -87.35 162.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -119.05 131.32 55.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.839 HG21 ' CB ' ' A' ' 67' ' ' MET . 7.7 t -121.48 128.13 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -163.08 163.7 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 81' ' ' LEU . 13.9 mt -50.68 135.4 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.05 102.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -46.01 152.44 0.77 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.41 13.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.64 111.97 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -161.29 146.15 13.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 pp -127.14 159.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -155.22 133.38 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -116.13 85.01 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -114.72 165.04 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.8 -160.92 10.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 129.0 16.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.4 p -78.97 144.23 34.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -93.79 169.08 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' -4' ' ' SER . 27.4 p -148.08 124.44 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -5' ' ' SER . 2.1 t -37.81 -56.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 159.92 -42.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -59.95 171.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -118.65 147.88 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -96.64 -51.41 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -45.04 137.33 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.7 176.04 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -69.98 -46.94 64.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -132.19 119.67 21.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.48 11.73 8.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 6' ' ' ARG . 26.0 mtm105 -96.14 -44.81 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.83 120.52 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' A' ' 60' ' ' ALA . 15.6 mt -104.23 148.21 26.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -104.5 137.64 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG11 HD21 ' A' ' 13' ' ' LEU . 82.6 t -125.46 132.23 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.16 173.36 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' NE ' ' A' ' 75' ' ' ARG . . . 65.2 29.04 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -75.9 -178.59 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.739 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.79 178.0 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -83.16 -16.97 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -100.6 -17.57 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 14' ' ' ALA . 69.7 t -73.51 133.8 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.38 -178.57 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.97 -31.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -61.33 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.92 -45.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 13' ' ' LEU . 33.2 mt -66.78 -39.59 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 2.0 t-80 -54.61 -52.88 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.71 -21.56 61.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.15 -12.69 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 m-85 -120.68 0.23 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.1 tp -60.08 -31.69 9.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.1 Cg_exo -60.07 -60.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 67.2 m-85 -37.6 -64.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.45 -145.76 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.434 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -107.98 93.16 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 78.7 mt -51.78 103.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.526 HG22 ' OE1' ' A' ' 55' ' ' GLU . 76.4 p -60.47 -46.6 89.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -165.58 152.81 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 52.5 mt -122.98 141.06 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -119.98 131.55 55.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.6 mm -125.37 120.81 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.73 114.67 3.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' GLU . 76.2 mt -130.87 154.64 47.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -92.65 -177.9 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 10.7 p90 -101.1 -11.04 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 24.2 mm-40 -103.03 -48.81 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.0 p -107.21 -17.63 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.551 ' O ' HD22 ' A' ' 39' ' ' LEU . 27.1 mt-10 47.61 39.74 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -112.19 165.68 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -107.3 152.69 23.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 70.2 mtp180 -85.65 31.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.14 48.37 20.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 2.7 p90 -167.55 166.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.675 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -170.85 179.66 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -131.06 127.45 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.0 t -106.21 138.09 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -105.11 119.53 39.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m-85 -95.78 151.24 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' OE1' HG22 ' A' ' 33' ' ' THR . 3.5 tp10 -54.85 -46.79 74.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 mt -126.04 175.31 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -78.41 -52.03 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -42.16 -62.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -47.82 -42.21 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.82 -53.77 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.65 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.66 99.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.54 -40.42 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 91.0 mt -68.42 -57.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.98 -27.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 12.1 m-80 -98.23 -74.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.911 ' HB3' HG21 ' A' ' 79' ' ' VAL . 81.5 mmm -38.03 -45.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -41.42 118.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 60.3 43.44 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -93.5 178.0 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -112.05 109.2 18.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -130.55 146.05 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 43.86 32.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.0 85.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 13' ' ' LEU . 5.9 ptm180 -153.48 161.53 42.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.3 m -91.8 125.24 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.43 156.21 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -112.22 140.06 47.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 67' ' ' MET . 42.8 t -134.7 130.39 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -164.87 163.03 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 81' ' ' LEU . 14.4 mt -50.18 130.95 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.11 106.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 150.13 1.38 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm -109.7 -178.78 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -125.43 153.79 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -131.87 19.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -76.28 148.73 37.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.66 -61.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 t -170.33 156.14 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.56 121.71 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.02 7.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -70.09 95.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.5 m -60.57 143.67 53.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.6 t -79.88 177.9 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 97.24 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.46 123.41 13.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.7 t -52.81 173.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -58.48 -46.03 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -140.45 -125.44 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt -124.21 156.34 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.63 162.46 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 4' ' ' THR . 38.4 m -121.58 163.38 19.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.567 ' N ' HG22 ' A' ' 3' ' ' THR . 1.5 m 61.9 54.1 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -94.32 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.24 35.53 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -151.19 124.02 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.8 mt -108.27 141.37 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 1.2 t80 -104.14 125.97 50.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 13' ' ' LEU . 87.9 t -111.1 128.53 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.92 147.3 18.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.76 16.36 45.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD22 HG11 ' A' ' 17' ' ' VAL . 82.8 mt -61.07 170.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -99.23 -174.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.63 -20.05 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -102.48 25.25 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 13' ' ' LEU . 68.1 t -114.53 133.25 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.829 ' OD1' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -146.62 179.69 7.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -50.53 -33.25 20.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG2' ' CG ' ' A' ' 18' ' ' ASP . 14.6 ptmt -69.18 -47.59 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.829 HG23 ' OD1' ' A' ' 18' ' ' ASP . 88.0 t -63.83 -47.59 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.12 -38.25 90.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 27' ' ' ILE . 4.7 t-80 -58.07 -50.22 74.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -19.75 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.39 -16.17 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.3 m-85 -118.42 0.36 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.878 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.79 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.878 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.7 Cg_exo -60.02 -61.02 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 40.2 m-85 -36.36 -70.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.12 -144.54 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -110.98 85.88 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 26' ' ' PHE . 57.1 mt -45.85 115.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -74.84 -46.36 37.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -161.6 162.7 30.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -134.88 148.24 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -124.83 129.09 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.707 HD13 ' HB1' ' A' ' 50' ' ' ALA . 43.6 mm -124.62 124.1 25.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.632 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.73 117.68 5.23 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 38' ' ' PRO . 41.3 mt -130.31 159.56 36.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.57 179.33 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -101.57 -8.0 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.38 -37.8 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -103.06 -29.94 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.65 32.79 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -116.5 155.81 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -96.89 154.03 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -81.33 -50.73 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.01 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -173.79 166.38 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -170.59 -177.51 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.89 130.94 38.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -115.02 144.18 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -108.43 142.17 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -115.34 142.72 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -52.12 -41.0 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -128.88 159.53 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -67.16 -55.23 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -40.45 -63.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -43.25 -43.03 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.51 -53.41 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.58 -46.49 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.67 93.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.21 -40.15 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.596 HD11 HD22 ' A' ' 8' ' ' LEU . 35.0 mt -68.34 -56.41 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -45.56 -25.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -98.38 -73.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.805 ' HB3' HG21 ' A' ' 79' ' ' VAL . 89.9 mmm -42.76 -27.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.48 117.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 54.38 38.48 29.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -80.38 -175.73 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -117.17 112.28 20.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.0 tp -129.01 116.75 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 61.39 42.93 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.05 31.17 79.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -142.92 157.51 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 m -101.73 117.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.35 169.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.22 129.36 52.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -118.22 125.58 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.18 161.05 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.77 135.36 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.54 134.97 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.04 149.72 23.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -160.87 141.46 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -106.59 145.89 31.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.3 pt -121.59 37.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -88.29 140.69 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -111.81 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -88.89 -46.21 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.98 144.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.23 28.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -122.71 -55.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -47.49 120.8 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.7 m -72.77 147.2 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 22.6 t -126.68 -44.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 119.27 124.42 3.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.44 88.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.0 m -113.29 102.71 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 133.65 112.77 1.34 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 96.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -164.87 137.03 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.78 70.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 61.7 tttt -78.84 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.9 -29.95 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.5 t -100.12 124.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD22 HD11 ' A' ' 64' ' ' ILE . 26.7 mt -105.49 134.16 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -92.64 132.47 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -117.12 134.49 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.98 168.11 24.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.53 25.15 74.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 70.1 mt -72.7 177.45 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -101.88 -174.63 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.65 -20.72 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -101.3 25.47 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 HD22 ' A' ' 13' ' ' LEU . 84.3 t -118.92 127.93 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -147.21 179.75 7.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.75 -38.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 16.3 pttm -64.7 -50.01 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 62.9 t -66.47 -46.21 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.427 HD21 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -66.58 -32.79 74.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.8 t-80 -64.57 -53.2 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -14.58 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.34 -22.71 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.2 m-85 -117.45 0.0 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.909 HG22 ' HD3' ' A' ' 28' ' ' PRO . 8.4 tp -59.92 -31.75 10.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.909 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.3 Cg_exo -60.03 -51.43 5.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 89.7 m-85 -49.22 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.53 -144.64 5.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.38 80.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 35' ' ' ILE . 81.2 mt -38.71 144.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -119.52 -27.61 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -161.44 145.37 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 32' ' ' ILE . 58.7 mt -140.11 124.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mm-40 -100.02 142.5 31.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.545 HD13 ' CB ' ' A' ' 50' ' ' ALA . 30.1 mm -130.95 122.89 19.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . 53.8 Cg_endo -69.74 118.45 5.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 38' ' ' PRO . 59.4 mt -135.03 152.73 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.48 -176.03 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -109.55 -1.38 18.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 43' ' ' THR . 2.2 pp20? -120.78 -27.3 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.761 HG23 ' CD ' ' A' ' 42' ' ' GLU . 15.8 p -119.6 -22.79 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 55.77 31.86 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -112.79 152.23 29.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -95.11 161.91 13.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -92.77 -42.81 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 155.03 52.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -170.86 161.93 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.2 -176.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.12 139.18 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -124.29 138.65 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.45 134.47 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.63 138.12 42.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -48.41 -29.66 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -137.38 167.56 21.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.5 -50.08 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.4 pt-20 -47.35 -51.87 18.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 70.4 m-20 -53.71 -46.18 70.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.813 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.72 -53.81 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 5' ' ' LYS . . . -51.44 -45.25 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.45 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.557 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -61.45 -40.28 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.87 HD11 HD22 ' A' ' 8' ' ' LEU . 92.1 mt -66.28 -62.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -39.98 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' ILE . 2.3 m-80 -102.54 -74.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.908 ' HB3' HG21 ' A' ' 79' ' ' VAL . 88.6 mmm -34.29 -48.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' MET . 4.0 p-10 -34.77 116.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 65.03 42.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' MET . 15.3 p -93.99 174.8 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.67 113.36 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp -127.7 123.62 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 53.74 42.81 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.78 34.05 88.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -144.78 165.95 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.7 m -105.62 105.41 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -90.52 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -129.13 139.33 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.908 HG21 ' HB3' ' A' ' 67' ' ' MET . 26.2 t -126.54 126.95 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -158.76 161.06 36.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 5' ' ' LYS . 16.0 mt -51.07 131.04 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.89 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -49.98 152.63 2.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.4 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttt -63.9 151.34 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -143.28 119.14 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.604 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -112.74 164.08 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 175.8 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -157.28 142.87 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.9 t -136.12 131.46 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.12 83.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.44 24.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p -126.82 90.03 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -166.91 107.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 m -136.26 149.22 48.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 m -163.99 155.58 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.16 61.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.7 m -114.06 83.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.0 p -120.83 138.48 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 122.58 80.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttp -117.25 -64.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.32 136.51 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -74.3 -17.09 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.8 m -99.58 96.54 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 81' ' ' LEU . 3.2 mppt? -98.71 36.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -95.92 -40.56 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.17 112.54 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 64' ' ' ILE . 18.0 mt -100.31 148.44 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -108.09 125.46 51.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -113.36 133.61 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.8 20.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 64.91 33.64 87.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD22 HG11 ' A' ' 17' ' ' VAL . 91.2 mt -77.18 -177.61 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -97.74 -177.58 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -23.15 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.17 -10.42 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.972 HG23 ' HB3' ' A' ' 14' ' ' ALA . 84.9 t -76.95 135.6 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 -179.67 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -43.47 -36.4 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -66.06 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 73' ' ' PHE . 48.3 t -56.93 -49.72 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 13' ' ' LEU . 35.1 mt -62.51 -34.98 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.6 t-80 -62.1 -46.71 87.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -8.45 59.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -13.75 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.8 m-85 -118.12 0.6 11.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.72 -31.78 10.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.865 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.8 Cg_exo -60.95 -49.63 7.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 79.2 m-85 -52.83 -71.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.07 -148.54 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ILE . 4.5 m-20 -115.0 78.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 26' ' ' PHE . 87.3 mt -35.88 122.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -88.28 -48.16 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -157.19 149.31 22.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 23' ' ' HIS . 21.5 mt -125.29 147.0 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -126.17 128.08 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD13 ' HB1' ' A' ' 50' ' ' ALA . 7.3 mm -117.53 121.37 32.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -124.83 150.28 46.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -77.98 178.28 7.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -100.7 -17.11 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.75 -39.9 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.435 ' C ' ' HG2' ' A' ' 44' ' ' GLU . 76.0 p -106.79 -22.06 12.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 43' ' ' THR . 9.7 pt-20 43.43 31.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -112.02 139.43 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -88.83 148.44 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.9 tpm_? -82.55 -42.79 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.06 59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.546 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.0 p90 -174.88 163.15 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.704 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -167.51 -178.94 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.23 126.91 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.73 125.99 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -96.68 129.24 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -97.99 147.75 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.05 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.68 151.48 40.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -34.82 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.09 -53.01 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -57.23 -40.53 77.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.84 -55.16 38.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.6 70.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -64.35 -41.06 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 8' ' ' LEU . 49.3 mt -66.93 -59.14 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.33 -22.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' ASN . 2.3 m-80 -109.35 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -34.78 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.8 t30 -58.6 130.77 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 52.12 41.11 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -96.22 166.78 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -97.99 118.7 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -140.9 140.84 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.5 m-85 48.26 30.29 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.72 36.72 66.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.77 169.83 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.6 m -104.91 119.12 38.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 12' ' ' GLY . 38.4 pt -104.36 159.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -116.98 131.96 56.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 67' ' ' MET . 32.1 t -122.39 141.44 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -168.74 164.13 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 5' ' ' LYS . 34.7 mt -58.91 137.11 57.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.49 136.59 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -70.18 153.67 95.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.46 10.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.1 tpt 45.91 46.46 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -93.7 99.76 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 pt -101.14 35.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -133.42 151.91 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -85.13 107.92 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 m -67.79 172.3 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.96 148.51 14.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -173.56 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -160.33 130.06 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 p -56.12 -45.9 79.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.9 t -161.52 114.69 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 88.7 p -144.02 107.31 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -77.0 -153.45 5.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 27.0 p -87.5 85.08 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.2 t -131.41 113.34 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -126.44 -32.17 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt -99.34 -54.74 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.824 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 46.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -146.02 164.39 32.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.531 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 m -132.59 149.93 52.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HB2' ' NH2' ' A' ' 6' ' ' ARG . 1.3 mptm? -117.85 -32.07 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.431 ' NH2' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -63.07 -24.78 68.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG23 HG21 ' A' ' 4' ' ' THR . 33.1 t -88.21 105.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.995 HD21 ' HB1' ' A' ' 60' ' ' ALA . 18.2 mt -85.32 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -111.17 120.45 42.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG11 HD21 ' A' ' 13' ' ' LEU . 43.4 t -109.11 138.58 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.46 176.69 19.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 57.07 33.05 63.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD22 HG11 ' A' ' 17' ' ' VAL . 81.9 mt -71.41 -175.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -102.18 177.92 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.22 -18.67 41.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -108.95 17.82 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 14' ' ' ALA . 89.5 t -103.72 128.2 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -142.55 174.21 10.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.12 -29.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -70.38 -51.22 31.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 73' ' ' PHE . 97.1 t -62.71 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 13' ' ' LEU . 33.9 mt -61.2 -35.86 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 27' ' ' ILE . 5.9 t-80 -62.57 -53.15 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.05 -13.35 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.51 -15.21 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.7 m-85 -117.03 0.79 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.857 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.8 -31.83 10.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.857 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -61.76 -59.82 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 45.3 m-85 -35.03 -62.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.76 -139.4 2.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -118.68 87.63 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG21 HD11 ' A' ' 35' ' ' ILE . 70.8 mt -50.65 114.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -79.25 -32.31 43.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -170.12 162.36 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG12 HG13 ' A' ' 52' ' ' VAL . 73.6 mt -141.03 145.94 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -120.95 133.51 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.634 HD13 ' CB ' ' A' ' 50' ' ' ALA . 23.4 mm -121.77 117.05 30.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.76 118.13 5.49 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 44' ' ' GLU . 85.8 mt -127.66 174.38 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.99 -178.32 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -107.07 -9.76 16.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.98 -32.29 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.3 p -121.94 -18.88 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.8 mm-40 54.05 33.39 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -108.52 155.41 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -101.89 144.68 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -48.89 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.48 53.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 33.5 p90 -172.56 158.58 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -164.73 -178.1 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -127.16 129.77 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.648 HG13 HG12 ' A' ' 35' ' ' ILE . 17.1 t -118.14 134.96 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 7' ' ' VAL . 3.9 mt-10 -95.87 149.71 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.4 m-85 -122.1 138.91 54.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.55 -32.02 57.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -136.37 164.55 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.41 -53.09 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -44.17 -62.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -44.8 -47.09 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -54.73 -53.62 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.49 -46.61 57.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.91 94.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -56.02 -41.21 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 8' ' ' LEU . 78.0 mt -67.65 -57.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -49.74 -26.54 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.4 -73.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 26' ' ' PHE . 72.9 mmm -44.59 -30.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 7.7 t-20 -50.09 117.0 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 56.93 38.67 29.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.8 p -90.48 -177.03 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -111.12 103.45 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.59 125.64 47.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 21' ' ' VAL . 5.0 m-85 63.63 33.11 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.37 17.37 76.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -137.88 165.57 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -94.96 139.04 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLY . 29.3 pt -125.48 157.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -110.59 131.77 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.41 HG21 ' CB ' ' A' ' 67' ' ' MET . 60.8 t -127.14 142.47 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -174.59 166.32 3.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.3 mt -53.81 137.54 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.87 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -79.37 152.27 75.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.533 0.683 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.5 mmm -41.41 151.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 91.12 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.1 pt -121.27 144.81 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -77.68 117.53 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.48 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.4 t -49.12 -50.08 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.73 61.72 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 169.31 19.33 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 m -123.85 149.87 45.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.7 p -117.79 157.16 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.3 t -154.55 175.33 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 75.3 m -111.76 42.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.65 -171.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.6 p -163.59 135.76 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.7 m -157.43 162.12 38.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 128.31 50.72 0.14 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ptm -92.56 55.01 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 -47.32 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -77.96 158.29 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -56.11 129.42 39.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.737 ' HG2' HD21 ' A' ' 81' ' ' LEU . 40.5 mtpt -103.11 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -105.52 -44.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -89.14 106.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' HB1' ' A' ' 60' ' ' ALA . 38.6 mt -87.36 144.47 26.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.5 t80 -104.44 120.59 41.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.9 139.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.72 168.33 23.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 63.45 40.47 98.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 17' ' ' VAL . 68.0 mt -85.46 156.65 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -77.14 -179.33 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -86.71 -9.22 56.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.45 -25.27 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.579 HG11 HD22 ' A' ' 13' ' ' LEU . 59.4 t -67.63 138.28 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ASP . 34.3 t70 -157.29 173.14 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -36.13 -38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.61 -60.98 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.09 -47.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.39 -33.78 68.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 3.0 t-80 -72.11 -47.38 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.22 59.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.94 -17.21 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.6 m-85 -117.08 0.49 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.2 tp -59.8 -31.74 10.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.11 -60.84 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.9 m-85 -36.82 -67.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.56 -139.63 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -118.57 84.4 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 26' ' ' PHE . 83.5 mt -43.95 128.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.636 HG22 ' OE1' ' A' ' 55' ' ' GLU . 60.0 p -90.3 -39.68 12.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.9 150.45 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 23' ' ' HIS . 83.4 mt -128.06 144.77 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 2.1 mp0 -124.42 132.44 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 50' ' ' ALA . 29.7 mm -119.76 112.11 35.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 39' ' ' LEU . 54.1 Cg_endo -69.82 124.01 10.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 38' ' ' PRO . 47.3 mt -138.06 166.76 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.8 -178.97 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -100.4 -13.25 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.25 -45.91 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.2 p -103.03 -30.45 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.7 33.17 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -113.69 148.39 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 14' ' ' ALA . 4.6 p80 -77.23 144.91 37.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 19.4 mmt180 -83.47 12.41 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.96 41.04 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' ARG . 11.0 p90 -172.2 164.8 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.1 176.95 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -116.41 130.5 56.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 HG12 ' A' ' 35' ' ' ILE . 24.1 t -123.68 133.27 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -102.0 144.79 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 8' ' ' LEU . 7.9 m-85 -113.89 146.61 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.636 ' OE1' HG22 ' A' ' 33' ' ' THR . 6.4 tp10 -57.2 -37.31 71.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.41 164.47 23.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -43.65 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 15.9 pt-20 -58.03 -49.63 76.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 7.6 m-20 -51.27 -45.03 61.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.841 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -58.51 -52.17 66.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.71 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.3 -39.84 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.804 HD11 HD22 ' A' ' 8' ' ' LEU . 79.8 mt -64.22 -55.93 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.45 -26.92 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -93.75 -73.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 79' ' ' VAL . 75.6 mmm -43.03 -32.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -46.59 110.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.9 38.99 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -89.95 179.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.09 120.44 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.7 tp -138.8 118.53 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.93 38.72 11.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.62 24.5 73.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -137.1 169.75 17.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.4 m -108.72 103.89 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.507 HD11 ' CE ' ' A' ' 67' ' ' MET . 20.5 pt -88.72 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -111.82 133.34 54.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 67' ' ' MET . 58.7 t -123.57 139.57 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -172.01 164.76 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HG2' ' A' ' 5' ' ' LYS . 30.2 mt -51.19 131.58 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.96 155.31 40.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -98.09 147.42 33.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 106.21 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.468 ' O ' ' C ' ' A' ' 86' ' ' ARG . 7.7 tpt -97.66 -41.61 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 85' ' ' MET . 22.6 mmt-85 -32.25 129.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -108.11 158.42 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -165.28 150.19 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -158.49 105.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.6 m -149.17 179.0 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 83.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -177.12 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -168.34 124.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.9 p -99.11 148.78 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.4 p -116.83 166.19 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 84.6 p -174.65 139.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.1 -136.15 2.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.49 158.44 20.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.6 m -121.67 146.1 47.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -138.81 -165.52 10.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm -72.13 148.73 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.8 158.07 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p -72.37 -21.77 61.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -151.65 106.4 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 81' ' ' LEU . 1.6 tppt? -77.28 51.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -129.13 -39.55 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.08 112.1 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -92.42 158.79 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 5.0 t80 -116.5 121.83 42.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.42 143.36 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.21 174.69 24.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.67 34.14 75.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 HG11 ' A' ' 17' ' ' VAL . 70.8 mt -80.27 152.47 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -71.99 173.99 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -2.4 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -114.42 19.46 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG11 HD22 ' A' ' 13' ' ' LEU . 93.7 t -111.53 140.09 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -156.49 173.45 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 35' ' ' ILE . 50.7 t0 -35.24 -42.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -59.63 -58.25 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.49 -45.18 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.55 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -79.69 -58.81 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -15.62 63.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.59 -16.81 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' ILE . 3.7 m-85 -118.17 0.65 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.867 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.4 tp -59.92 -31.77 10.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HD3' HG22 ' A' ' 27' ' ' ILE . 31.2 Cg_exo -60.95 -60.2 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 67' ' ' MET . 43.9 m-85 -38.08 -73.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.48 -146.75 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ILE . 41.3 t0 -111.6 79.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 26' ' ' PHE . 90.6 mt -36.93 124.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 p -89.55 -43.26 10.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 159.29 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 78.8 mt -137.13 145.54 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.508 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.5 mp0 -124.61 129.95 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.796 HD13 ' CB ' ' A' ' 50' ' ' ALA . 9.0 mm -120.8 122.54 28.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 44' ' ' GLU . 31.2 mt -121.69 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.91 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -109.38 -9.28 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -28.15 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.5 p -121.03 -16.13 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HD22 ' A' ' 39' ' ' LEU . 8.2 pt-20 41.19 37.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -106.55 134.2 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.87 161.22 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -92.09 -41.51 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.34 51.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -171.97 169.93 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.0 m-85 -112.28 131.92 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -116.99 132.17 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -100.94 127.29 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 8' ' ' LEU . 6.9 m-85 -97.43 160.77 14.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.6 -38.17 80.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -128.29 162.03 28.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.33 -46.13 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.0 pt-20 -55.69 -53.84 51.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -49.1 -44.21 41.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.968 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.37 -53.56 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.43 59.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.77 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.53 -39.53 80.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.035 HD11 HD22 ' A' ' 8' ' ' LEU . 63.5 mt -68.43 -62.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -38.25 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' ILE . 5.5 m-80 -101.54 -74.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.875 ' HB3' HG21 ' A' ' 79' ' ' VAL . 91.6 mmm -36.23 -45.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -42.97 123.8 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 54.89 44.95 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 67' ' ' MET . 36.6 m -100.79 -176.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -112.16 106.17 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -122.65 119.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 63.54 36.1 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.61 34.61 84.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.76 162.17 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 119.62 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.424 HD11 ' HE3' ' A' ' 67' ' ' MET . 9.2 pt -105.78 148.8 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.91 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' A' ' 67' ' ' MET . 28.6 t -121.99 134.88 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -168.75 160.01 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD11 ' HD3' ' A' ' 5' ' ' LYS . 28.7 mt -53.31 134.12 39.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.58 143.75 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -87.08 159.29 51.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.222 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -116.3 -179.91 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -109.98 159.17 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.448 HG23 ' CE ' ' A' ' 85' ' ' MET . 2.5 pp -133.56 172.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -119.6 118.83 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -121.34 147.42 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 m -116.59 -51.18 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.26 66.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.2 p -83.75 -52.65 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -97.67 -43.27 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.82 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -70.26 148.76 48.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 108.33 135.12 7.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.56 116.02 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.4 p -160.97 106.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.83 101.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.98 151.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.15 143.02 49.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -82.66 -42.76 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.28 132.81 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -101.57 39.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -109.74 -46.33 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.25 102.78 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.883 HD21 ' HB1' ' A' ' 60' ' ' ALA . 51.9 mt -88.32 152.26 22.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -109.86 133.53 53.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 13' ' ' LEU . 89.5 t -119.19 134.74 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.51 166.07 23.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 69.2 36.07 78.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 10' ' ' VAL . 95.7 mt -81.79 -174.93 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -110.59 163.11 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.21 -0.78 10.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.35 -13.48 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.576 HG11 HD22 ' A' ' 13' ' ' LEU . 25.5 t -81.81 128.97 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.94 177.02 8.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.82 -32.89 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -68.1 -54.97 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.03 -47.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.1 -39.14 89.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.651 ' CE1' HD13 ' A' ' 27' ' ' ILE . 2.4 t-80 -58.16 -47.02 84.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 -19.78 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.29 -15.14 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.8 m-85 -117.94 0.43 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.62 -31.81 10.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 32.2 Cg_exo -59.91 -51.33 5.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 47.7 m-85 -43.86 -72.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.49 -146.27 4.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.08 73.07 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 91.8 mt -38.24 119.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 p -80.8 -44.81 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -164.4 163.81 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 82.2 mt -136.55 149.93 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 6.7 mp0 -121.92 126.44 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 50' ' ' ALA . 12.0 mm -118.0 124.26 28.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.97 2.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -121.34 156.44 32.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -83.03 176.82 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -99.05 -4.81 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -123.88 -38.02 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -102.27 -18.61 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 48.84 31.82 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -114.1 158.32 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -99.44 169.76 9.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -97.26 -50.97 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.69 47.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -172.57 155.72 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -160.25 -177.17 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.18 125.79 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.92 134.36 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.74 125.0 47.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.86 144.4 28.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.08 -34.63 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.09 170.09 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.9 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ASP . 11.5 pt-20 -44.36 -49.54 9.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 54.3 m-20 -55.85 -46.61 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -55.08 -54.09 47.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.97 -43.38 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.31 -39.79 80.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 8' ' ' LEU . 66.6 mt -65.52 -58.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.77 -24.39 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -96.3 -74.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 79' ' ' VAL . 86.4 mmm -41.89 -29.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -46.8 120.57 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 55.72 45.07 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 m -93.11 175.84 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -113.91 119.32 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -140.39 134.9 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 56.2 26.35 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.33 32.71 57.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.734 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 5.0 ptp180 -152.12 157.61 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.3 m -90.29 133.95 34.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 12' ' ' GLY . 35.4 pt -117.35 160.77 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.62 131.6 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 67' ' ' MET . 60.8 t -122.21 141.34 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -173.65 165.89 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.8 mt -53.75 136.82 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 160.53 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -80.15 154.06 74.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.03 11.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -62.54 117.56 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 17.5 ttm-85 -162.4 150.84 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 2.8 pt -123.06 113.86 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -169.33 128.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.62 77.11 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -114.41 177.61 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.96 71.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 140.57 43.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -114.92 153.05 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 m -122.18 171.32 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.518 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.9 t -99.29 93.47 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 45.3 p -93.53 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.7 -173.62 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 77.9 p -158.22 156.86 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 t -167.93 158.91 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 102.55 180.0 26.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -41.56 152.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' CB ' ' HE3' ' A' ' 5' ' ' LYS . . . -114.79 167.09 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -155.66 128.21 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.6 m 71.43 53.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 2' ' ' ALA . 44.0 mttt -81.46 42.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -113.5 -46.18 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 83.0 t -78.39 119.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.978 HD21 ' HB1' ' A' ' 60' ' ' ALA . 12.4 mt -95.94 146.12 24.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 2.6 t80 -110.99 120.26 41.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.76 141.44 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.61 173.55 22.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 77' ' ' ILE . . . 61.59 38.29 95.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 17' ' ' VAL . 80.3 mt -82.84 -175.64 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.823 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . . . -106.18 173.71 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 16' ' ' GLU . 13.5 pt-20 -78.77 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 15' ' ' GLU . 4.4 mp0 -109.69 22.77 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 14' ' ' ALA . 78.2 t -116.74 131.03 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.44 177.77 8.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.35 -32.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.11 -61.54 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 73' ' ' PHE . 43.0 t -51.2 -46.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -38.53 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . 1.9 t-80 -54.42 -56.99 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -16.03 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -29.07 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.624 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.0 m-85 -109.93 1.5 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.903 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -60.03 -31.71 10.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.903 ' HD3' HG22 ' A' ' 27' ' ' ILE . 39.9 Cg_exo -58.77 -48.89 13.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.389 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 46.0 m-85 -49.5 -60.57 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.25 -144.79 3.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -115.73 84.13 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 75.8 mt -44.96 115.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 48.7 p -75.52 -42.71 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 33' ' ' THR . 34.0 m-20 -163.3 154.8 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.51 ' C ' ' NE2' ' A' ' 36' ' ' GLN . 80.2 mt -125.89 149.6 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.51 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 3.8 mp0 -120.43 128.83 53.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.636 HD13 ' HB1' ' A' ' 50' ' ' ALA . 8.8 mm -129.64 104.39 17.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.77 124.39 11.03 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 44' ' ' GLU . 69.8 mt -135.2 155.23 51.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD2' ' CG ' ' A' ' 42' ' ' GLU . 4.0 t70 -79.71 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -108.36 -20.8 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 2.4 pt-20 -104.22 -25.47 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 p -124.91 -17.2 5.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 39' ' ' LEU . 11.9 pt-20 39.68 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -107.67 152.87 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -104.65 145.59 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -82.93 50.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 49.94 52.91 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -165.64 166.89 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -173.85 176.05 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -125.75 126.75 45.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.77 134.79 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.35 141.23 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -114.06 141.46 47.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -27.15 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.8 mt -134.03 163.34 29.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -40.6 25.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.91 -49.2 78.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.0 -36.64 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.978 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -62.89 -52.47 62.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.15 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -61.51 -37.97 85.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -62.45 -43.78 98.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.898 HD11 HD22 ' A' ' 8' ' ' LEU . 54.6 mt -65.19 -65.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' ILE . 10.6 t0 -37.94 -27.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' ILE . 1.8 m-80 -96.07 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 79' ' ' VAL . 90.0 mmm -36.66 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -41.64 117.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 57.54 38.53 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 77' ' ' ILE . 77.4 p -80.35 -178.94 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -116.9 108.4 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 tp -128.33 132.57 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 21' ' ' VAL . 4.9 m-85 59.78 26.49 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.06 72.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.823 ' CZ ' ' HB2' ' A' ' 14' ' ' ALA . 4.7 ptp180 -142.54 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m -91.02 140.28 29.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' GLY . 19.3 pt -126.47 156.97 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -111.99 134.88 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 67' ' ' MET . 21.6 t -128.43 143.49 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -171.01 168.08 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.61 139.64 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.36 134.86 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -44.85 155.53 0.39 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.9 ptm -45.05 160.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -134.23 154.42 51.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -121.27 30.08 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -163.26 121.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.39 146.78 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -99.51 130.05 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.05 87.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 165.87 29.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.0 p -139.0 157.07 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -89.32 143.77 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.4 p -108.92 161.29 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.3 t -87.44 42.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -75.41 61.03 2.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -109.38 128.59 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 85.0 p -117.7 124.4 48.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -77.74 149.09 34.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.93 101.36 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.2 m -105.79 110.29 22.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 -69.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.6 35.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -110.31 -44.67 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.54 111.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 60' ' ' ALA . 41.3 mt -90.0 145.82 24.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.29 129.07 50.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.477 HG11 HD21 ' A' ' 13' ' ' LEU . 60.2 t -118.92 137.06 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.67 173.25 21.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 20.96 74.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 10' ' ' VAL . 94.7 mt -66.28 178.37 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB2' ' NE ' ' A' ' 75' ' ' ARG . . . -100.2 -175.39 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.98 -19.62 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -105.64 25.94 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.579 HG23 ' HB3' ' A' ' 14' ' ' ALA . 75.1 t -113.66 125.62 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.68 -175.12 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -53.73 -25.32 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -51.35 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.26 -42.66 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 13' ' ' LEU . 50.8 mt -72.12 -43.49 64.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.588 ' CE1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -50.19 -50.05 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.12 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.0 -15.3 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 4.4 m-85 -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.888 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.94 -31.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.888 ' HD3' HG22 ' A' ' 27' ' ' ILE . 34.5 Cg_exo -59.91 -60.36 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 61.3 m-85 -36.96 -67.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.21 -142.0 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -114.88 91.78 3.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 HD11 ' A' ' 35' ' ' ILE . 65.3 mt -50.49 113.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 68.8 p -73.09 -46.03 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' THR . 4.5 m-20 -162.41 155.04 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 HG21 ' A' ' 32' ' ' ILE . 60.8 mt -131.71 145.89 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' NE2' ' C ' ' A' ' 35' ' ' ILE . 1.2 mp0 -124.6 130.05 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 50' ' ' ALA . 9.0 mm -123.05 116.45 28.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 106.97 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -132.89 159.46 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -82.79 166.77 18.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -92.56 -6.42 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.88 -46.91 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 44' ' ' GLU . 77.0 p -102.61 -38.21 7.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 43' ' ' THR . 4.8 mt-10 71.65 25.37 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -98.64 156.7 16.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' ' C ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -110.11 167.51 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tpt180 -91.97 -43.39 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 151.36 51.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' ' HB3' ' A' ' 47' ' ' ARG . 3.7 p90 -170.66 162.82 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' ILE . . . -160.74 -178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 121.13 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -113.17 128.17 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -97.57 130.7 44.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.01 139.88 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -33.03 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -131.25 155.04 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.59 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.45 -56.26 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.73 -43.47 58.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -57.4 -52.15 66.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.9 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.5 95.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -58.6 -42.9 89.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -63.19 -55.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.36 -29.43 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' MET . 6.8 m-80 -93.92 -74.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.8 ' HB3' HG21 ' A' ' 79' ' ' VAL . 84.3 mmm -37.89 -39.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -44.88 115.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 61.88 42.87 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 m -96.16 171.85 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -106.28 128.41 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.44 141.71 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 46.88 26.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.61 56.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.661 ' NE ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 ptp180 -147.42 160.3 42.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.5 m -93.73 111.28 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 pt -95.87 152.06 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -114.01 137.95 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 67' ' ' MET . 59.4 t -126.34 147.61 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -172.93 158.73 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.23 138.64 44.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.52 139.18 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -44.87 149.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.39 13.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 ttt -124.14 110.64 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 103.79 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.04 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -134.7 170.58 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -172.29 117.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 p -116.34 154.74 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.07 83.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -6.05 17.69 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 p -42.82 -46.74 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.8 m -116.21 135.77 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.7 m -135.26 167.58 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.5 t -98.43 172.23 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -115.16 -83.84 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.8 t 65.77 42.18 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.4 t -39.27 -46.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 132.71 -113.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt -61.93 97.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.69 128.91 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -144.37 135.16 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m 68.24 50.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.1 mmtp -83.27 51.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -126.79 -48.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.2 102.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.963 HD22 HD11 ' A' ' 64' ' ' ILE . 15.3 mt -88.7 142.11 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.8 132.71 52.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.88 140.97 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.1 21.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.4 16.28 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 17' ' ' VAL . 85.1 mt -55.39 -178.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -103.0 173.78 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.63 -16.48 57.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -110.44 18.14 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.946 HG23 ' HB3' ' A' ' 14' ' ' ALA . 91.4 t -105.5 136.77 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.84 176.37 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -43.18 -35.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -66.57 -55.6 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 73' ' ' PHE . 93.7 t -54.74 -48.73 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.32 -39.94 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 1.3 t-80 -52.9 -43.53 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.89 -25.87 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.69 -14.84 53.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' C ' ' HD2' ' A' ' 28' ' ' PRO . 3.4 m-85 -118.44 0.22 11.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.889 HG22 ' HD3' ' A' ' 28' ' ' PRO . 9.3 tp -59.78 -31.96 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.889 ' HD3' HG22 ' A' ' 27' ' ' ILE . 35.0 Cg_exo -60.0 -61.58 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.224 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 38.6 m-85 -35.43 -69.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.25 4.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.02 83.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' HIS . 70.8 mt -39.6 120.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.5 p -83.38 -35.64 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.98 154.44 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.5 mt -129.22 141.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -115.05 134.68 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.6 mm -134.33 99.63 13.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.74 6.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 46' ' ' HIS . 75.6 mt -134.21 165.36 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -86.86 -175.27 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -104.19 -28.27 11.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -89.55 -40.64 12.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -111.94 -21.54 11.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.6 pt-20 40.83 32.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.52 137.37 41.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.475 ' HB3' HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -78.2 141.95 38.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -72.56 -33.85 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.27 52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -170.92 170.55 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -168.6 -176.55 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -138.73 119.22 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.39 134.17 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.56 112.61 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 3.2 m-85 -87.36 146.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.88 -50.82 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 mt -115.69 -178.48 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.34 -49.16 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.47 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -46.38 -44.27 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 8' ' ' LEU . . . -56.27 -53.26 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.69 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.22 91.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . . . -60.29 -40.91 92.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.963 HD11 HD22 ' A' ' 8' ' ' LEU . 74.1 mt -66.97 -57.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.59 -26.64 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 m-80 -94.28 -75.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.733 ' CB ' HG21 ' A' ' 79' ' ' VAL . 85.3 mmm -42.41 -24.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 66' ' ' ASN . 11.8 t-20 -53.71 115.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 54.02 42.49 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -94.07 176.69 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -108.21 111.67 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 14.4 tp -137.76 133.09 33.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 3.8 m-85 65.22 24.98 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.86 77.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -148.2 167.29 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.0 m -90.78 143.9 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.0 pt -128.48 149.7 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -105.61 129.12 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 67' ' ' MET . 86.5 t -123.99 135.77 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -173.74 163.37 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 5' ' ' LYS . 30.9 mt -51.37 142.83 12.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.81 141.4 55.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 152.89 87.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.01 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.287 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ptm -62.0 156.59 20.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -124.43 153.1 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -121.23 147.67 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -111.59 -20.28 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.53 136.88 40.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -122.72 -53.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 92' ' ' PRO . . . 82.48 107.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 91' ' ' GLY . 53.9 Cg_endo -69.76 159.33 53.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.5 p -131.67 126.23 34.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -114.67 -60.92 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 stop_ save_