data_2gjf_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 2gjf _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 ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.317 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.765 0.317 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.722 0.296 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' B' ' 59' ' ' LEU . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' B' ' 58' ' ' MET . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.751 0.31 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.302 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -114.24 88.9 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -97.86 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.11 152.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -52.65 104.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -83.3 104.93 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.34 160.89 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.87 103.59 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.02 40.97 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -98.02 168.78 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.53 145.58 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.19 110.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.886 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -146.48 98.0 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -98.4 164.05 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.8 112.35 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 95.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.29 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.69 163.54 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.99 147.3 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -73.6 97.0 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -98.01 167.54 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.37 115.34 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -81.52 100.03 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 174.97 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -149.99 156.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -51.63 104.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m 61.78 54.28 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.933 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.1 175.11 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 120.51 42.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -65.78 90.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 144.37 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -122.39 149.22 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.46 92.91 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -124.02 97.92 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -97.85 162.23 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 115.86 25.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.74 106.29 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 175.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p -142.8 143.58 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -51.25 105.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.23 41.21 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -98.13 154.5 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 119.26 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.88 40.48 30.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -97.96 174.84 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.07 152.94 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 111.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.77 38.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -98.37 175.16 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.41 116.48 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -68.6 87.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.88 158.43 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.49 137.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.05 138.86 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -149.52 110.44 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -97.94 160.24 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.64 112.3 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.43 99.13 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -97.85 148.57 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m -133.16 141.47 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.85 106.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 62.74 44.14 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 172.23 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.05 114.86 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' B' ' 59' ' ' LEU . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' B' ' 58' ' ' MET . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.61 99.79 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -100.6 163.83 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 p -139.19 152.01 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.63 114.93 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m 57.59 44.08 21.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -99.01 175.09 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.29 122.87 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -157.13 100.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -98.03 170.3 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.69 136.13 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 107.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.6 42.03 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -100.93 172.04 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 118.91 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.25 42.74 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -97.65 174.76 6.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.35 139.82 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.36 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -143.39 106.23 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -97.85 142.98 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.05 109.41 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p 57.57 28.73 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -97.51 149.75 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.38 130.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -52.09 112.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -58.89 99.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.15 171.05 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 103.64 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -144.34 99.03 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -98.85 170.2 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.54 154.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.67 117.59 2.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -159.38 85.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.42 175.14 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.98 104.13 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 p -84.38 101.78 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -97.75 147.06 24.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -152.95 138.97 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -49.59 104.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -151.21 93.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 173.68 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.55 112.72 24.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -108.91 108.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -112.78 171.97 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.15 139.32 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.55 105.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 44.06 5.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.956 0.408 . . . . 0.0 110.887 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.18 172.92 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.65 123.02 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -84.86 87.37 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -97.77 175.16 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -142.31 155.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.43 106.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -90.64 82.96 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 175.2 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.75 104.91 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -130.93 106.63 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -98.71 174.96 6.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.02 145.95 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.83 117.39 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -148.19 94.5 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 144.77 26.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.0 108.98 20.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -89.28 108.27 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.965 0.412 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 164.18 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -148.16 130.6 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.41 108.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -133.71 97.48 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 164.2 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.98 100.84 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -94.94 105.86 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -98.43 165.92 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.75 149.82 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -51.93 112.47 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 51.68 52.95 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.809 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 175.35 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.88 103.62 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 47' ' ' ILE . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.834 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.834 HD21 HG21 ' A' ' 8' ' ' ILE . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CG ' HG22 ' A' ' 47' ' ' ILE . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.494 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' B' ' 44' ' ' VAL . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' HG3' ' B' ' 33' ' ' GLN . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.62 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' A' ' 6' ' ' PHE . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' B' ' 5' ' ' ILE . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 69' ' ' TYR . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.672 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 1.045 HG21 HD21 ' B' ' 19' ' ' LEU . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.505 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' B' ' 10' ' ' PRO . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 1.045 HD21 HG21 ' B' ' 8' ' ' ILE . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.741 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 8' ' ' ILE . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.476 HG21 ' HG3' ' A' ' 33' ' ' GLN . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.407 HG22 HG23 ' B' ' 47' ' ' ILE . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.741 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 52' ' ' VAL . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.672 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.473 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' B' ' 66' ' ' PHE . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.657 HD21 HD13 ' B' ' 8' ' ' ILE . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.513 HD12 HD23 ' B' ' 59' ' ' LEU . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' PRO . . . . . 0.407 ' HD2' HG23 ' B' ' 64' ' ' ILE . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.734 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 47' ' ' ILE . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.892 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 39' ' ' PRO . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.892 HD21 HG21 ' A' ' 8' ' ' ILE . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.499 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 8' ' ' ILE . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.682 HG22 ' CG ' ' A' ' 30' ' ' PHE . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' VAL . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 4' ' ' THR . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 66' ' ' PHE . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 6' ' ' PHE . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.752 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' B' ' 39' ' ' PRO . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' B' ' 19' ' ' LEU . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.591 HD22 ' HA ' ' B' ' 43' ' ' VAL . 14.7 p30 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.564 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.591 ' HA ' HD22 ' B' ' 34' ' ' ASN . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.445 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.632 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' CE1' ' B' ' 66' ' ' PHE . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' B' ' 56' ' ' LEU . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.804 HG21 HD21 ' A' ' 19' ' ' LEU . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 42' ' ' PRO . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.804 HD21 HG21 ' A' ' 8' ' ' ILE . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.733 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.6 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' B' ' 44' ' ' VAL . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' HG3' ' B' ' 33' ' ' GLN . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.6 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.733 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.609 ' O ' HG12 ' A' ' 52' ' ' VAL . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 52' ' ' VAL . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.55 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.55 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.317 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' B' ' 44' ' ' VAL . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' B' ' 52' ' ' VAL . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.833 HG21 HD21 ' B' ' 19' ' ' LEU . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' B' ' 42' ' ' PRO . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.833 HD21 HG21 ' B' ' 8' ' ' ILE . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.418 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 33' ' ' GLN . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' B' ' 30' ' ' PHE . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.443 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.55 ' CG2' HG21 ' B' ' 4' ' ' THR . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE2' ' B' ' 66' ' ' PHE . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' B' ' 56' ' ' LEU . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 52' ' ' VAL . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.836 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.889 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' PRO . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD21 HG21 ' A' ' 8' ' ' ILE . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.836 HG22 HG12 ' A' ' 7' ' ' VAL . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.677 HG22 ' CG ' ' A' ' 30' ' ' PHE . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 6' ' ' PHE . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 52' ' ' VAL . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 66' ' ' PHE . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 66' ' ' PHE . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 59' ' ' LEU . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 4' ' ' THR . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.591 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' B' ' 47' ' ' ILE . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 67' ' ' THR . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.949 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' B' ' 39' ' ' PRO . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.949 HD21 HG21 ' B' ' 8' ' ' ILE . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.688 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.563 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.457 HG22 HG12 ' B' ' 7' ' ' VAL . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 8' ' ' ILE . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.688 HG22 ' CG ' ' B' ' 30' ' ' PHE . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.493 ' O ' HG22 ' B' ' 52' ' ' VAL . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.591 HG11 HG21 ' B' ' 4' ' ' THR . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.635 HD12 ' CE1' ' B' ' 66' ' ' PHE . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.595 HD23 HD12 ' B' ' 64' ' ' ILE . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.595 HD12 HD23 ' B' ' 59' ' ' LEU . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.635 ' CE1' HD12 ' B' ' 56' ' ' LEU . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.507 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.572 HG23 HG22 ' B' ' 4' ' ' THR . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.432 ' OH ' HG21 ' B' ' 67' ' ' THR . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' B' ' 4' ' ' THR . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' B' ' 69' ' ' TYR . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.628 HG21 HD21 ' A' ' 19' ' ' LEU . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD21 HG21 ' A' ' 8' ' ' ILE . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CG ' HG22 ' A' ' 47' ' ' ILE . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 32' ' ' TRP . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 7' ' ' VAL . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.716 HG22 ' CG ' ' A' ' 30' ' ' PHE . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 52' ' ' VAL . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 49' ' ' SER . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 56' ' ' LEU . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.445 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 66' ' ' PHE . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.609 HG22 ' OE1' ' B' ' 71' ' ' GLU . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' CE1' ' A' ' 6' ' ' PHE . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.769 HG21 HG11 ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.765 0.317 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.961 HG21 HD21 ' B' ' 19' ' ' LEU . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.961 HD21 HG21 ' B' ' 8' ' ' ILE . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.724 ' CG ' HG22 ' B' ' 47' ' ' ILE . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.597 ' HZ3' HG11 ' B' ' 43' ' ' VAL . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.401 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.597 HG11 ' HZ3' ' B' ' 32' ' ' TRP . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.465 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.724 HG22 ' CG ' ' B' ' 30' ' ' PHE . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.769 HG11 HG21 ' B' ' 4' ' ' THR . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' B' ' 66' ' ' PHE . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.493 HD23 HD12 ' B' ' 64' ' ' ILE . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.493 HD12 HD23 ' B' ' 59' ' ' LEU . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' B' ' 56' ' ' LEU . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.609 ' OE1' HG22 ' A' ' 67' ' ' THR . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.744 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' B' ' 69' ' ' TYR . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.438 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 10' ' ' PRO . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 8' ' ' ILE . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' HG3' HG21 ' B' ' 44' ' ' VAL . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 7' ' ' VAL . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.429 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.637 HG22 ' CG ' ' A' ' 30' ' ' PHE . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 52' ' ' VAL . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 4' ' ' THR . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.722 0.296 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' B' ' 44' ' ' VAL . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.711 ' CG2' HD21 ' B' ' 19' ' ' LEU . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' PRO . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.404 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 39' ' ' PRO . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.711 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 44' ' ' VAL . 17.9 mm100 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' B' ' 5' ' ' ILE . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' B' ' 30' ' ' PHE . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.565 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.76 HG22 HD12 ' B' ' 56' ' ' LEU . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 52' ' ' VAL . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.709 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.76 HD12 HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' B' ' 59' ' ' LEU . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.43 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' B' ' 69' ' ' TYR . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CG ' HG22 ' A' ' 47' ' ' ILE . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 7' ' ' VAL . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.736 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.462 ' HA ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 4' ' ' THR . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.414 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 66' ' ' PHE . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 59' ' ' LEU . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 7' ' ' VAL . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' B' ' 72' ' ' GLU . 19.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.688 HG23 HD12 ' B' ' 46' ' ' LEU . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' B' ' 19' ' ' LEU . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' B' ' 42' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' B' ' 47' ' ' ILE . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.456 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.769 ' HB3' HG11 ' B' ' 43' ' ' VAL . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 42' ' ' PRO . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' B' ' 36' ' ' PRO . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 8' ' ' ILE . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.688 HD12 HG23 ' B' ' 5' ' ' ILE . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' B' ' 30' ' ' PHE . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' B' ' 49' ' ' SER . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.509 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 8' ' ' ILE . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.402 HD12 HD23 ' B' ' 59' ' ' LEU . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 5' ' ' ILE . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 70' ' ' VAL . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.82 HG21 HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' B' ' 69' ' ' TYR . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.043 HG22 HG12 ' A' ' 44' ' ' VAL . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.874 HG21 HD21 ' A' ' 19' ' ' LEU . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 8' ' ' ILE . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.453 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.701 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 36' ' ' PRO . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 7' ' ' VAL . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CD1' HD12 ' A' ' 8' ' ' ILE . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.719 HG22 ' CG ' ' A' ' 30' ' ' PHE . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 4' ' ' THR . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 ' HE3' ' A' ' 60' ' ' LYS . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 HD12 ' A' ' 64' ' ' ILE . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HE3' HD22 ' A' ' 56' ' ' LEU . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.486 HD12 HD23 ' A' ' 59' ' ' LEU . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.559 HG21 HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.437 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.626 HG12 HG22 ' B' ' 44' ' ' VAL . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.729 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.403 ' ND2' ' H ' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.403 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' B' ' 10' ' ' PRO . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.729 HD21 ' CG2' ' B' ' 8' ' ' ILE . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.674 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.431 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.431 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.626 HG22 HG12 ' B' ' 7' ' ' VAL . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.674 HG22 ' CG ' ' B' ' 30' ' ' PHE . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.481 ' HA ' HG23 ' B' ' 52' ' ' VAL . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 4' ' ' THR . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 56' ' ' LEU . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' B' ' 66' ' ' PHE . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.47 ' CG ' HD13 ' B' ' 59' ' ' LEU . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.519 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 ' CE2' ' B' ' 69' ' ' TYR . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 47' ' ' ILE . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.974 HG21 HD21 ' A' ' 19' ' ' LEU . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.974 HD21 HG21 ' A' ' 8' ' ' ILE . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 7' ' ' VAL . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.679 HG22 ' CG ' ' A' ' 30' ' ' PHE . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 4' ' ' THR . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 64' ' ' ILE . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 59' ' ' LEU . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HZ ' HD23 ' A' ' 56' ' ' LEU . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 4' ' ' THR . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.662 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.641 HG21 HD21 ' B' ' 19' ' ' LEU . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.641 HD21 HG21 ' B' ' 8' ' ' ILE . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.709 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.418 ' HG3' HG21 ' A' ' 44' ' ' VAL . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' B' ' 36' ' ' PRO . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.709 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.441 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.662 HG13 ' CE1' ' B' ' 6' ' ' PHE . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.435 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' B' ' 55' ' ' PHE . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 66' ' ' PHE . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.683 ' CD2' HD13 ' B' ' 59' ' ' LEU . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' B' ' 6' ' ' PHE . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.667 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.881 HG21 HD21 ' A' ' 19' ' ' LEU . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 10' ' ' PRO . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 8' ' ' ILE . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HD12 ' A' ' 8' ' ' ILE . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.621 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 52' ' ' VAL . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 66' ' ' PHE . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 8' ' ' ILE . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 59' ' ' LEU . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.447 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HE2' HG11 ' A' ' 7' ' ' VAL . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' B' ' 72' ' ' GLU . 10.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.677 ' HE1' HG23 ' B' ' 52' ' ' VAL . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.763 ' CG2' HD21 ' B' ' 19' ' ' LEU . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.763 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.695 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.512 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.519 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.512 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.695 HG22 ' CG ' ' B' ' 30' ' ' PHE . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.645 ' O ' HG12 ' B' ' 52' ' ' VAL . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.677 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.444 ' N ' HG13 ' B' ' 52' ' ' VAL . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 66' ' ' PHE . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' B' ' 66' ' ' PHE . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 70' ' ' VAL . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.73 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' B' ' 69' ' ' TYR . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.767 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 10' ' ' PRO . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD21 ' CG2' ' A' ' 8' ' ' ILE . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG21 ' HZ3' ' A' ' 32' ' ' TRP . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 7' ' ' VAL . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.584 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.671 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 52' ' ' VAL . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.73 HG21 HG21 ' A' ' 4' ' ' THR . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 66' ' ' PHE . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.646 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.541 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' B' ' 10' ' ' PRO . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.541 HD21 HG21 ' B' ' 8' ' ' ILE . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.511 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.746 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.519 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' VAL . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.679 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.679 HG21 ' HB3' ' B' ' 36' ' ' PRO . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.646 HG22 HG12 ' B' ' 7' ' ' VAL . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.519 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.436 HD23 HE21 ' B' ' 33' ' ' GLN . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' B' ' 30' ' ' PHE . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.558 ' O ' HG12 ' B' ' 52' ' ' VAL . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.747 HG22 HD12 ' B' ' 56' ' ' LEU . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 52' ' ' VAL . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 66' ' ' PHE . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.532 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 5' ' ' ILE . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.883 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 44' ' ' VAL . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.75 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' CG ' HG23 ' A' ' 44' ' ' VAL . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.667 ' HB3' HG21 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG21 ' HB3' ' A' ' 36' ' ' PRO . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.849 HG12 HG22 ' A' ' 7' ' ' VAL . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 47' ' ' ILE . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' PHE . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 4' ' ' THR . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 64' ' ' ILE . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 HD23 ' A' ' 59' ' ' LEU . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 4' ' ' THR . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.595 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.626 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.535 HG12 HG22 ' B' ' 44' ' ' VAL . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.755 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' B' ' 10' ' ' PRO . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.755 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.639 ' CG ' HG22 ' B' ' 47' ' ' ILE . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' B' ' 46' ' ' LEU . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.44 HG13 ' O ' ' B' ' 43' ' ' VAL . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.535 HG22 HG12 ' B' ' 7' ' ' VAL . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' B' ' 33' ' ' GLN . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' B' ' 30' ' ' PHE . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.626 HG13 ' CE1' ' B' ' 6' ' ' PHE . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 66' ' ' PHE . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' B' ' 56' ' ' LEU . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.402 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.439 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' HE1' HG23 ' A' ' 52' ' ' VAL . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 ' CG2' HD21 ' A' ' 19' ' ' LEU . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 10' ' ' PRO . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CD1' HG22 ' A' ' 47' ' ' ILE . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.516 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.91 HG22 HG12 ' A' ' 7' ' ' VAL . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.476 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CD1' ' A' ' 30' ' ' PHE . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 52' ' ' VAL . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 52' ' ' VAL . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 64' ' ' ILE . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.655 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 4' ' ' THR . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.481 HG22 ' CG2' ' B' ' 68' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.751 0.31 . . . . 0.0 111.107 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.661 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.595 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.41 ' HG3' HD13 ' B' ' 64' ' ' ILE . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' B' ' 39' ' ' PRO . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.463 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.703 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.515 HD12 HD12 ' B' ' 8' ' ' ILE . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' B' ' 30' ' ' PHE . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.622 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.695 HG22 HD12 ' B' ' 56' ' ' LEU . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 52' ' ' VAL . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.695 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.435 HD23 HD12 ' B' ' 64' ' ' ILE . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.401 ' HB2' HG13 ' B' ' 64' ' ' ILE . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.435 HD12 HD23 ' B' ' 59' ' ' LEU . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 52' ' ' VAL . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.753 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.758 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.66 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 7' ' ' VAL . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.451 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 ' CG ' ' A' ' 30' ' ' PHE . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 66' ' ' PHE . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' B' ' 5' ' ' ILE . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.602 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 69' ' ' TYR . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' B' ' 52' ' ' VAL . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.454 HG12 ' O ' ' B' ' 67' ' ' THR . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.736 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' B' ' 39' ' ' PRO . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.408 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.736 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.738 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.659 ' OD1' HG13 ' B' ' 43' ' ' VAL . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.416 ' O ' HG22 ' B' ' 37' ' ' THR . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.659 HG13 ' OD1' ' B' ' 34' ' ' ASN . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.738 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.469 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.602 ' CG2' HG21 ' B' ' 4' ' ' THR . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.454 ' O ' HG12 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.593 HG23 HG22 ' B' ' 4' ' ' THR . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG2' HD23 ' A' ' 46' ' ' LEU . 16.5 tppt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.823 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.913 HG21 HD21 ' A' ' 19' ' ' LEU . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 42' ' ' PRO . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 8' ' ' ILE . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 7' ' ' VAL . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 3' ' ' LYS . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.74 HG22 ' CG ' ' A' ' 30' ' ' PHE . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.562 ' CG2' HG21 ' A' ' 4' ' ' THR . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 4' ' ' THR . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.48 HG22 HG23 ' B' ' 68' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.505 ' CG2' HG23 ' B' ' 44' ' ' VAL . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.695 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 16' ' ' VAL . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 10' ' ' PRO . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.695 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.751 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.453 ' CG ' HG13 ' B' ' 44' ' ' VAL . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.685 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.685 HG21 ' HB3' ' B' ' 36' ' ' PRO . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' B' ' 5' ' ' ILE . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.534 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.751 HG22 ' CG ' ' B' ' 30' ' ' PHE . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.458 ' HA ' HG23 ' B' ' 52' ' ' VAL . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' B' ' 6' ' ' PHE . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' B' ' 66' ' ' PHE . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' B' ' 59' ' ' LEU . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.48 HG23 HG22 ' B' ' 4' ' ' THR . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' HG13 ' A' ' 52' ' ' VAL . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 44' ' ' VAL . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 39' ' ' PRO . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.717 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' B' ' 44' ' ' VAL . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 HG12 ' A' ' 7' ' ' VAL . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 8' ' ' ILE . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.717 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 6' ' ' PHE . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD13 ' CG ' ' A' ' 66' ' ' PHE . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 6' ' ' PHE . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.756 HG21 HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.69 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 1.018 HG21 HD21 ' B' ' 19' ' ' LEU . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' B' ' 10' ' ' PRO . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 1.018 HD21 HG21 ' B' ' 8' ' ' ILE . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' HG3' HG21 ' A' ' 44' ' ' VAL . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.663 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' B' ' 36' ' ' PRO . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.69 HG22 HG12 ' B' ' 7' ' ' VAL . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.441 ' O ' HG22 ' B' ' 52' ' ' VAL . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.756 HG11 HG21 ' B' ' 4' ' ' THR . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.648 HD23 ' HZ ' ' B' ' 66' ' ' PHE . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.648 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.566 ' CG2' HG22 ' B' ' 4' ' ' THR . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.759 HG21 HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' B' ' 69' ' ' TYR . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 19' ' ' LEU . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 8' ' ' ILE . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.623 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 HE21 HD13 ' A' ' 46' ' ' LEU . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' HG13 ' A' ' 43' ' ' VAL . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.771 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 36' ' ' PRO . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 HG21 ' HG3' ' B' ' 33' ' ' GLN . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.547 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HE21 ' A' ' 33' ' ' GLN . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' HA ' HG23 ' A' ' 52' ' ' VAL . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.759 HG21 HG21 ' A' ' 4' ' ' THR . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 66' ' ' PHE . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 6' ' ' PHE . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' B' ' 5' ' ' ILE . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.661 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.302 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.431 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.456 ' CZ ' HG22 ' B' ' 68' ' ' VAL . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.752 HG22 HD21 ' B' ' 19' ' ' LEU . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.404 ' HD1' HD12 ' B' ' 19' ' ' LEU . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CD1' HG22 ' B' ' 47' ' ' ILE . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 44' ' ' VAL . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.588 ' OD1' HG13 ' B' ' 43' ' ' VAL . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.765 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' B' ' 36' ' ' PRO . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.563 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.595 HG22 ' CD1' ' B' ' 30' ' ' PHE . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.457 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.661 HG21 HG21 ' B' ' 4' ' ' THR . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' B' ' 66' ' ' PHE . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 59' ' ' LEU . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 5' ' ' ILE . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.87 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' B' ' 69' ' ' TYR . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.866 HG21 HD21 ' A' ' 19' ' ' LEU . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.866 HD21 HG21 ' A' ' 8' ' ' ILE . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' HG3' HG21 ' B' ' 44' ' ' VAL . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.68 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 4' ' ' THR . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 66' ' ' PHE . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 64' ' ' ILE . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 59' ' ' LEU . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 56' ' ' LEU . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 4' ' ' THR . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.627 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' B' ' 44' ' ' VAL . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.503 ' CE1' HG13 ' B' ' 68' ' ' VAL . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.773 HG22 HD21 ' B' ' 19' ' ' LEU . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.773 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' B' ' 30' ' ' PHE . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.72 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.593 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.599 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 36' ' ' PRO . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.488 HG21 ' HG3' ' A' ' 33' ' ' GLN . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.6 HG22 HG23 ' B' ' 47' ' ' ILE . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.72 HG22 ' CG ' ' B' ' 30' ' ' PHE . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG22 ' B' ' 52' ' ' VAL . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.627 HG11 HG21 ' B' ' 4' ' ' THR . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' B' ' 66' ' ' PHE . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.583 ' CZ ' HD12 ' B' ' 56' ' ' LEU . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' CE1' ' B' ' 6' ' ' PHE . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 5' ' ' ILE . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 4' ' ' THR . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 46' ' ' LEU . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 52' ' ' VAL . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 44' ' ' VAL . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.757 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.459 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' B' ' 44' ' ' VAL . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.446 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 7' ' ' VAL . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 5' ' ' ILE . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.693 HG22 ' CG ' ' A' ' 30' ' ' PHE . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 49' ' ' SER . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 52' ' ' VAL . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 66' ' ' PHE . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 6' ' ' PHE . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' B' ' 5' ' ' ILE . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 69' ' ' TYR . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' B' ' 47' ' ' ILE . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.928 HG21 HD21 ' B' ' 19' ' ' LEU . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.928 HD21 HG21 ' B' ' 8' ' ' ILE . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.747 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' HG21 ' A' ' 44' ' ' VAL . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.575 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.441 HG11 ' HG3' ' A' ' 33' ' ' GLN . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.498 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.747 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 52' ' ' VAL . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' B' ' 6' ' ' PHE . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.486 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 56' ' ' LEU . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.414 ' HB2' HG13 ' B' ' 64' ' ' ILE . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.607 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' B' ' 6' ' ' PHE . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD3' HD23 ' A' ' 46' ' ' LEU . 17.9 ttmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 44' ' ' VAL . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HE1' HG23 ' A' ' 52' ' ' VAL . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.051 HG21 HD21 ' A' ' 19' ' ' LEU . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.051 HD21 HG21 ' A' ' 8' ' ' ILE . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.591 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.542 HG11 HG21 ' B' ' 44' ' ' VAL . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 32' ' ' TRP . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 3' ' ' LYS . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' A' ' 30' ' ' PHE . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.742 HG22 HD12 ' A' ' 56' ' ' LEU . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 52' ' ' VAL . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.694 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 64' ' ' ILE . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 59' ' ' LEU . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' B' ' 52' ' ' VAL . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.74 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.469 ' HD1' HD12 ' B' ' 19' ' ' LEU . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.67 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' B' ' 37' ' ' THR . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 38' ' ' GLU . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.542 HG21 HG11 ' A' ' 44' ' ' VAL . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.453 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.67 HG22 ' CG ' ' B' ' 30' ' ' PHE . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.636 ' O ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.636 HG12 ' O ' ' B' ' 49' ' ' SER . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.416 ' N ' HG13 ' B' ' 52' ' ' VAL . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.616 HD13 ' CG ' ' B' ' 66' ' ' PHE . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' B' ' 59' ' ' LEU . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' B' ' 6' ' ' PHE . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -114.24 88.9 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -97.86 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 47' ' ' ILE . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.834 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD21 HG21 ' A' ' 8' ' ' ILE . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CG ' HG22 ' A' ' 47' ' ' ILE . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.494 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' B' ' 44' ' ' VAL . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' HG3' ' B' ' 33' ' ' GLN . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.62 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' A' ' 6' ' ' PHE . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' B' ' 5' ' ' ILE . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.11 152.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -52.65 104.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' B' ' 70' ' ' VAL . 1.5 pp20? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -83.3 104.93 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.34 160.89 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.87 103.59 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 69' ' ' TYR . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.672 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 1.045 HG21 HD21 ' B' ' 19' ' ' LEU . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.505 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' B' ' 10' ' ' PRO . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 1.045 HD21 HG21 ' B' ' 8' ' ' ILE . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.741 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 8' ' ' ILE . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.476 HG21 ' HG3' ' A' ' 33' ' ' GLN . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.407 HG22 HG23 ' B' ' 47' ' ' ILE . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.741 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 52' ' ' VAL . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.672 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.473 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' B' ' 66' ' ' PHE . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.657 HD21 HD13 ' B' ' 8' ' ' ILE . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.513 HD12 HD23 ' B' ' 59' ' ' LEU . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PRO . . . . . 0.407 ' HD2' HG23 ' B' ' 64' ' ' ILE . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 72' ' ' GLU . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.02 40.97 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -98.02 168.78 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.734 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 47' ' ' ILE . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.892 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 39' ' ' PRO . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.892 HD21 HG21 ' A' ' 8' ' ' ILE . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.499 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 8' ' ' ILE . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.682 HG22 ' CG ' ' A' ' 30' ' ' PHE . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' VAL . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 4' ' ' THR . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 66' ' ' PHE . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 6' ' ' PHE . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.53 145.58 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.19 110.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.886 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -146.48 98.0 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -98.4 164.05 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.8 112.35 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.752 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' B' ' 39' ' ' PRO . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' B' ' 19' ' ' LEU . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.591 HD22 ' HA ' ' B' ' 43' ' ' VAL . 14.7 p30 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.564 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.591 ' HA ' HD22 ' B' ' 34' ' ' ASN . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.445 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.632 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' CE1' ' B' ' 66' ' ' PHE . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' B' ' 56' ' ' LEU . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 95.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.29 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.804 HG21 HD21 ' A' ' 19' ' ' LEU . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 42' ' ' PRO . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.804 HD21 HG21 ' A' ' 8' ' ' ILE . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.733 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.6 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' B' ' 44' ' ' VAL . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' HG3' ' B' ' 33' ' ' GLN . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.6 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.733 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.609 ' O ' HG12 ' A' ' 52' ' ' VAL . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 52' ' ' VAL . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.55 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.69 163.54 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.99 147.3 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.542 ' HG2' HG12 ' B' ' 70' ' ' VAL . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -73.6 97.0 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -98.01 167.54 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.55 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER -109.37 115.34 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' B' ' 44' ' ' VAL . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' B' ' 52' ' ' VAL . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.833 HG21 HD21 ' B' ' 19' ' ' LEU . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' B' ' 42' ' ' PRO . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.833 HD21 HG21 ' B' ' 8' ' ' ILE . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.418 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 33' ' ' GLN . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' B' ' 30' ' ' PHE . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.443 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.55 ' CG2' HG21 ' B' ' 4' ' ' THR . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE2' ' B' ' 66' ' ' PHE . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' B' ' 56' ' ' LEU . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.542 HG12 ' HG2' ' A' ' 72' ' ' GLU . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -81.52 100.03 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 174.97 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 52' ' ' VAL . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.836 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.889 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' PRO . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD21 HG21 ' A' ' 8' ' ' ILE . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.836 HG22 HG12 ' A' ' 7' ' ' VAL . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.677 HG22 ' CG ' ' A' ' 30' ' ' PHE . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 6' ' ' PHE . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 52' ' ' VAL . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 66' ' ' PHE . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 66' ' ' PHE . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 59' ' ' LEU . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 4' ' ' THR . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -149.99 156.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -51.63 104.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m 61.78 54.28 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.933 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.1 175.11 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.591 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -107.19 120.51 42.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' B' ' 47' ' ' ILE . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 67' ' ' THR . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.949 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' B' ' 39' ' ' PRO . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.949 HD21 HG21 ' B' ' 8' ' ' ILE . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.688 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.563 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.457 HG22 HG12 ' B' ' 7' ' ' VAL . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 8' ' ' ILE . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.688 HG22 ' CG ' ' B' ' 30' ' ' PHE . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.493 ' O ' HG22 ' B' ' 52' ' ' VAL . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.591 HG11 HG21 ' B' ' 4' ' ' THR . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.635 HD12 ' CE1' ' B' ' 66' ' ' PHE . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.595 HD23 HD12 ' B' ' 64' ' ' ILE . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.595 HD12 HD23 ' B' ' 59' ' ' LEU . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.635 ' CE1' HD12 ' B' ' 56' ' ' LEU . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.507 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.572 HG23 HG22 ' B' ' 4' ' ' THR . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.432 ' OH ' HG21 ' B' ' 67' ' ' THR . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' B' ' 4' ' ' THR . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -65.78 90.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 144.37 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' B' ' 69' ' ' TYR . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG21 HD21 ' A' ' 19' ' ' LEU . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD21 HG21 ' A' ' 8' ' ' ILE . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CG ' HG22 ' A' ' 47' ' ' ILE . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 32' ' ' TRP . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 7' ' ' VAL . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.716 HG22 ' CG ' ' A' ' 30' ' ' PHE . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 52' ' ' VAL . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 49' ' ' SER . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 56' ' ' LEU . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.445 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 66' ' ' PHE . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.609 HG22 ' OE1' ' B' ' 71' ' ' GLU . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' CE1' ' A' ' 6' ' ' PHE . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -122.39 149.22 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.46 92.91 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -124.02 97.92 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' B' ' 46' ' ' LEU . 16.1 mmmt -97.85 162.23 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.769 HG21 HG11 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -117.88 115.86 25.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.961 HG21 HD21 ' B' ' 19' ' ' LEU . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.961 HD21 HG21 ' B' ' 8' ' ' ILE . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.724 ' CG ' HG22 ' B' ' 47' ' ' ILE . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.597 ' HZ3' HG11 ' B' ' 43' ' ' VAL . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.401 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.597 HG11 ' HZ3' ' B' ' 32' ' ' TRP . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.465 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.434 HD23 ' HE2' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.724 HG22 ' CG ' ' B' ' 30' ' ' PHE . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.769 HG11 HG21 ' B' ' 4' ' ' THR . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' B' ' 66' ' ' PHE . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.493 HD23 HD12 ' B' ' 64' ' ' ILE . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.493 HD12 HD23 ' B' ' 59' ' ' LEU . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' B' ' 56' ' ' LEU . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.609 ' OE1' HG22 ' A' ' 67' ' ' THR . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.74 106.29 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 175.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.744 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' B' ' 69' ' ' TYR . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.438 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 10' ' ' PRO . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 8' ' ' ILE . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' HG3' HG21 ' B' ' 44' ' ' VAL . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 7' ' ' VAL . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.429 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.637 HG22 ' CG ' ' A' ' 30' ' ' PHE . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 52' ' ' VAL . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 4' ' ' THR . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p -142.8 143.58 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -51.25 105.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.23 41.21 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -98.13 154.5 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 119.26 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' B' ' 44' ' ' VAL . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.711 ' CG2' HD21 ' B' ' 19' ' ' LEU . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' PRO . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.404 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 39' ' ' PRO . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.711 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 44' ' ' VAL . 17.9 mm100 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' B' ' 5' ' ' ILE . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' B' ' 30' ' ' PHE . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.565 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.76 HG22 HD12 ' B' ' 56' ' ' LEU . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 52' ' ' VAL . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.709 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.76 HD12 HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' B' ' 59' ' ' LEU . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.43 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.88 40.48 30.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -97.96 174.84 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' B' ' 69' ' ' TYR . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CG ' HG22 ' A' ' 47' ' ' ILE . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 7' ' ' VAL . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.736 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HA ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 4' ' ' THR . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.414 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 66' ' ' PHE . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 59' ' ' LEU . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 7' ' ' VAL . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' B' ' 72' ' ' GLU . 19.0 m -140.07 152.94 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 111.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.77 38.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.643 ' HD2' HD23 ' B' ' 46' ' ' LEU . 16.7 ptpt -98.37 175.16 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.41 116.48 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.688 HG23 HD12 ' B' ' 46' ' ' LEU . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' B' ' 19' ' ' LEU . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' B' ' 42' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' B' ' 47' ' ' ILE . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.456 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.769 ' HB3' HG11 ' B' ' 43' ' ' VAL . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 42' ' ' PRO . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' B' ' 36' ' ' PRO . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 8' ' ' ILE . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.688 HD12 HG23 ' B' ' 5' ' ' ILE . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' B' ' 30' ' ' PHE . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' B' ' 49' ' ' SER . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.509 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 8' ' ' ILE . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.402 HD12 HD23 ' B' ' 59' ' ' LEU . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 5' ' ' ILE . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 70' ' ' VAL . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -68.6 87.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.88 158.43 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.82 HG21 HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' B' ' 69' ' ' TYR . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.043 HG22 HG12 ' A' ' 44' ' ' VAL . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.874 HG21 HD21 ' A' ' 19' ' ' LEU . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 8' ' ' ILE . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.453 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.701 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 36' ' ' PRO . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 7' ' ' VAL . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CD1' HD12 ' A' ' 8' ' ' ILE . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.719 HG22 ' CG ' ' A' ' 30' ' ' PHE . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 4' ' ' THR . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 ' HE3' ' A' ' 60' ' ' LYS . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 HD12 ' A' ' 64' ' ' ILE . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HE3' HD22 ' A' ' 56' ' ' LEU . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.486 HD12 HD23 ' A' ' 59' ' ' LEU . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.49 137.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.05 138.86 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -149.52 110.44 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -97.94 160.24 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.559 HG21 HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -110.64 112.3 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.437 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.626 HG12 HG22 ' B' ' 44' ' ' VAL . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.729 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.403 ' ND2' ' H ' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.403 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' B' ' 10' ' ' PRO . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.729 HD21 ' CG2' ' B' ' 8' ' ' ILE . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.674 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.431 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.431 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.626 HG22 HG12 ' B' ' 7' ' ' VAL . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.674 HG22 ' CG ' ' B' ' 30' ' ' PHE . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.481 ' HA ' HG23 ' B' ' 52' ' ' VAL . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 4' ' ' THR . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 56' ' ' LEU . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' B' ' 66' ' ' PHE . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.47 ' CG ' HD13 ' B' ' 59' ' ' LEU . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.519 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.43 99.13 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -97.85 148.57 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 ' CE2' ' B' ' 69' ' ' TYR . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 47' ' ' ILE . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.974 HG21 HD21 ' A' ' 19' ' ' LEU . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.974 HD21 HG21 ' A' ' 8' ' ' ILE . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 7' ' ' VAL . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.679 HG22 ' CG ' ' A' ' 30' ' ' PHE . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 4' ' ' THR . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 64' ' ' ILE . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 59' ' ' LEU . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HZ ' HD23 ' A' ' 56' ' ' LEU . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 4' ' ' THR . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m -133.16 141.47 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.85 106.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 62.74 44.14 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 172.23 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -108.05 114.86 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.662 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.641 HG21 HD21 ' B' ' 19' ' ' LEU . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.641 HD21 HG21 ' B' ' 8' ' ' ILE . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.709 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.418 ' HG3' HG21 ' A' ' 44' ' ' VAL . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' B' ' 36' ' ' PRO . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.709 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.441 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.662 HG13 ' CE1' ' B' ' 6' ' ' PHE . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.435 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' B' ' 55' ' ' PHE . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 66' ' ' PHE . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.683 ' CD2' HD13 ' B' ' 59' ' ' LEU . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' B' ' 6' ' ' PHE . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.61 99.79 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -100.6 163.83 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.667 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.881 HG21 HD21 ' A' ' 19' ' ' LEU . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 10' ' ' PRO . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 8' ' ' ILE . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HD12 ' A' ' 8' ' ' ILE . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.621 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 52' ' ' VAL . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 66' ' ' PHE . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 8' ' ' ILE . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 59' ' ' LEU . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.447 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HE2' HG11 ' A' ' 7' ' ' VAL . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' B' ' 72' ' ' GLU . 10.5 p -139.19 152.01 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.63 114.93 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m 57.59 44.08 21.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -99.01 175.09 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.29 122.87 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.677 ' HE1' HG23 ' B' ' 52' ' ' VAL . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.763 ' CG2' HD21 ' B' ' 19' ' ' LEU . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.763 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.695 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.512 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.519 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.512 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.695 HG22 ' CG ' ' B' ' 30' ' ' PHE . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.645 ' O ' HG12 ' B' ' 52' ' ' VAL . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.677 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.444 ' N ' HG13 ' B' ' 52' ' ' VAL . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 66' ' ' PHE . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' B' ' 66' ' ' PHE . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 70' ' ' VAL . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -157.13 100.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -98.03 170.3 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.73 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' B' ' 69' ' ' TYR . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.767 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 10' ' ' PRO . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD21 ' CG2' ' A' ' 8' ' ' ILE . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG21 ' HZ3' ' A' ' 32' ' ' TRP . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 7' ' ' VAL . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.584 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.671 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 52' ' ' VAL . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.73 HG21 HG21 ' A' ' 4' ' ' THR . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 66' ' ' PHE . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.69 136.13 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 107.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.6 42.03 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -100.93 172.04 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 118.91 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.646 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.541 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' B' ' 10' ' ' PRO . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.541 HD21 HG21 ' B' ' 8' ' ' ILE . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.511 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.746 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.519 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' VAL . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.679 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.679 HG21 ' HB3' ' B' ' 36' ' ' PRO . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.646 HG22 HG12 ' B' ' 7' ' ' VAL . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.519 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.436 HD23 HE21 ' B' ' 33' ' ' GLN . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' B' ' 30' ' ' PHE . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.558 ' O ' HG12 ' B' ' 52' ' ' VAL . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.747 HG22 HD12 ' B' ' 56' ' ' LEU . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 52' ' ' VAL . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 66' ' ' PHE . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.532 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 5' ' ' ILE . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.25 42.74 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -97.65 174.76 6.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.883 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 44' ' ' VAL . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.75 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' CG ' HG23 ' A' ' 44' ' ' VAL . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.667 ' HB3' HG21 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG21 ' HB3' ' A' ' 36' ' ' PRO . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.849 HG12 HG22 ' A' ' 7' ' ' VAL . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 47' ' ' ILE . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' PHE . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 4' ' ' THR . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 64' ' ' ILE . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 HD23 ' A' ' 59' ' ' LEU . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 4' ' ' THR . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.35 139.82 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.36 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' HB3' HG22 ' B' ' 70' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -143.39 106.23 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.449 ' HG2' HD23 ' B' ' 46' ' ' LEU . 5.5 tppt? -97.85 142.98 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.595 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER -104.05 109.41 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.626 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.535 HG12 HG22 ' B' ' 44' ' ' VAL . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.755 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' B' ' 10' ' ' PRO . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.755 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.639 ' CG ' HG22 ' B' ' 47' ' ' ILE . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' B' ' 46' ' ' LEU . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.44 HG13 ' O ' ' B' ' 43' ' ' VAL . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.535 HG22 HG12 ' B' ' 7' ' ' VAL . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' B' ' 33' ' ' GLN . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' B' ' 30' ' ' PHE . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.626 HG13 ' CE1' ' B' ' 6' ' ' PHE . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 66' ' ' PHE . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' B' ' 56' ' ' LEU . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.402 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.439 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 72' ' ' GLU . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p 57.57 28.73 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -97.51 149.75 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' HE1' HG23 ' A' ' 52' ' ' VAL . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 ' CG2' HD21 ' A' ' 19' ' ' LEU . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 10' ' ' PRO . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CD1' HG22 ' A' ' 47' ' ' ILE . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.516 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.91 HG22 HG12 ' A' ' 7' ' ' VAL . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.476 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CD1' ' A' ' 30' ' ' PHE . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 52' ' ' VAL . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 52' ' ' VAL . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 64' ' ' ILE . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.655 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 4' ' ' THR . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.38 130.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -52.09 112.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -58.89 99.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.15 171.05 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.481 HG22 ' CG2' ' B' ' 68' ' ' VAL . 0.2 OUTLIER -130.29 103.64 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.661 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.595 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.41 ' HG3' HD13 ' B' ' 64' ' ' ILE . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' B' ' 39' ' ' PRO . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.463 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.703 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.515 HD12 HD12 ' B' ' 8' ' ' ILE . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' B' ' 30' ' ' PHE . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.622 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.695 HG22 HD12 ' B' ' 56' ' ' LEU . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 52' ' ' VAL . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.695 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.435 HD23 HD12 ' B' ' 64' ' ' ILE . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.401 ' HB2' HG13 ' B' ' 64' ' ' ILE . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.435 HD12 HD23 ' B' ' 59' ' ' LEU . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -144.34 99.03 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -98.85 170.2 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 52' ' ' VAL . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.753 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.758 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.66 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 7' ' ' VAL . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.451 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 ' CG ' ' A' ' 30' ' ' PHE . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 66' ' ' PHE . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' B' ' 5' ' ' ILE . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.54 154.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.67 117.59 2.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.7 ' HB2' HG22 ' B' ' 70' ' ' VAL . 35.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -159.38 85.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.42 175.14 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.602 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -119.98 104.13 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 69' ' ' TYR . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' B' ' 52' ' ' VAL . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.454 HG12 ' O ' ' B' ' 67' ' ' THR . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.736 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' B' ' 39' ' ' PRO . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.408 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.736 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.738 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.659 ' OD1' HG13 ' B' ' 43' ' ' VAL . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.416 ' O ' HG22 ' B' ' 37' ' ' THR . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.659 HG13 ' OD1' ' B' ' 34' ' ' ASN . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.738 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.469 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.602 ' CG2' HG21 ' B' ' 4' ' ' THR . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.454 ' O ' HG12 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.593 HG23 HG22 ' B' ' 4' ' ' THR . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.7 HG22 ' HB2' ' A' ' 72' ' ' GLU . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 p -84.38 101.78 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG2' HD23 ' A' ' 46' ' ' LEU . 16.5 tppt? -97.75 147.06 24.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.823 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.913 HG21 HD21 ' A' ' 19' ' ' LEU . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 42' ' ' PRO . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 8' ' ' ILE . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 7' ' ' VAL . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 3' ' ' LYS . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.74 HG22 ' CG ' ' A' ' 30' ' ' PHE . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.562 ' CG2' HG21 ' A' ' 4' ' ' THR . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 4' ' ' THR . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -152.95 138.97 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' HG23 ' B' ' 67' ' ' THR . 65.3 tt0 -49.59 104.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -151.21 93.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 173.68 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.48 HG22 HG23 ' B' ' 68' ' ' VAL . 0.2 OUTLIER -110.55 112.72 24.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.505 ' CG2' HG23 ' B' ' 44' ' ' VAL . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.695 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 16' ' ' VAL . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 10' ' ' PRO . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.695 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.751 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.453 ' CG ' HG13 ' B' ' 44' ' ' VAL . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.685 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.685 HG21 ' HB3' ' B' ' 36' ' ' PRO . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' B' ' 5' ' ' ILE . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.534 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.751 HG22 ' CG ' ' B' ' 30' ' ' PHE . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.458 ' HA ' HG23 ' B' ' 52' ' ' VAL . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' B' ' 6' ' ' PHE . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' B' ' 66' ' ' PHE . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' B' ' 59' ' ' LEU . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.446 HG23 ' CD ' ' A' ' 71' ' ' GLU . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.48 HG23 HG22 ' B' ' 4' ' ' THR . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -108.91 108.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -112.78 171.97 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' HG13 ' A' ' 52' ' ' VAL . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 44' ' ' VAL . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 39' ' ' PRO . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.717 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' B' ' 44' ' ' VAL . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 HG12 ' A' ' 7' ' ' VAL . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 8' ' ' ILE . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.717 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 6' ' ' PHE . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD13 ' CG ' ' A' ' 66' ' ' PHE . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 6' ' ' PHE . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.15 139.32 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.55 105.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 44.06 5.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.956 0.408 . . . . 0.0 110.887 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.18 172.92 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.756 HG21 HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 123.02 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.69 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 1.018 HG21 HD21 ' B' ' 19' ' ' LEU . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' B' ' 10' ' ' PRO . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 1.018 HD21 HG21 ' B' ' 8' ' ' ILE . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' HG3' HG21 ' A' ' 44' ' ' VAL . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.663 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' B' ' 36' ' ' PRO . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.69 HG22 HG12 ' B' ' 7' ' ' VAL . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.441 ' O ' HG22 ' B' ' 52' ' ' VAL . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.756 HG11 HG21 ' B' ' 4' ' ' THR . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.648 HD23 ' HZ ' ' B' ' 66' ' ' PHE . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.648 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.566 ' CG2' HG22 ' B' ' 4' ' ' THR . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -84.86 87.37 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -97.77 175.16 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.759 HG21 HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' B' ' 69' ' ' TYR . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 19' ' ' LEU . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 8' ' ' ILE . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.623 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 HE21 HD13 ' A' ' 46' ' ' LEU . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' HG13 ' A' ' 43' ' ' VAL . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.771 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 36' ' ' PRO . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG21 ' HG3' ' B' ' 33' ' ' GLN . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.547 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HE21 ' A' ' 33' ' ' GLN . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' HA ' HG23 ' A' ' 52' ' ' VAL . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.759 HG21 HG21 ' A' ' 4' ' ' THR . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 66' ' ' PHE . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 6' ' ' PHE . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' B' ' 5' ' ' ILE . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -142.31 155.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.43 106.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -90.64 82.96 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 175.2 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.661 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -109.75 104.91 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.431 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.456 ' CZ ' HG22 ' B' ' 68' ' ' VAL . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.752 HG22 HD21 ' B' ' 19' ' ' LEU . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.404 ' HD1' HD12 ' B' ' 19' ' ' LEU . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CD1' HG22 ' B' ' 47' ' ' ILE . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 44' ' ' VAL . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.588 ' OD1' HG13 ' B' ' 43' ' ' VAL . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.765 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' B' ' 36' ' ' PRO . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.563 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.595 HG22 ' CD1' ' B' ' 30' ' ' PHE . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.457 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.661 HG21 HG21 ' B' ' 4' ' ' THR . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' B' ' 66' ' ' PHE . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 59' ' ' LEU . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 5' ' ' ILE . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -130.93 106.63 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -98.71 174.96 6.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.87 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' B' ' 69' ' ' TYR . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.866 HG21 HD21 ' A' ' 19' ' ' LEU . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.866 HD21 HG21 ' A' ' 8' ' ' ILE . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' HG3' HG21 ' B' ' 44' ' ' VAL . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.68 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 4' ' ' THR . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 66' ' ' PHE . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 64' ' ' ILE . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 59' ' ' LEU . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 56' ' ' LEU . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 4' ' ' THR . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.02 145.95 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.83 117.39 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -148.19 94.5 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' B' ' 46' ' ' LEU . 0.0 OUTLIER -97.59 144.77 26.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.627 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -101.0 108.98 20.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' B' ' 44' ' ' VAL . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.503 ' CE1' HG13 ' B' ' 68' ' ' VAL . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.773 HG22 HD21 ' B' ' 19' ' ' LEU . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.773 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' B' ' 30' ' ' PHE . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.72 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.593 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.599 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 36' ' ' PRO . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.488 HG21 ' HG3' ' A' ' 33' ' ' GLN . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.6 HG22 HG23 ' B' ' 47' ' ' ILE . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' B' ' 3' ' ' LYS . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.72 HG22 ' CG ' ' B' ' 30' ' ' PHE . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG22 ' B' ' 52' ' ' VAL . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.627 HG11 HG21 ' B' ' 4' ' ' THR . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' B' ' 66' ' ' PHE . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.583 ' CZ ' HD12 ' B' ' 56' ' ' LEU . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' CE1' ' B' ' 6' ' ' PHE . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 5' ' ' ILE . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 4' ' ' THR . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -89.28 108.27 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.965 0.412 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 164.18 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 46' ' ' LEU . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 52' ' ' VAL . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 44' ' ' VAL . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.757 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.459 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' B' ' 44' ' ' VAL . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.446 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 7' ' ' VAL . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 5' ' ' ILE . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.693 HG22 ' CG ' ' A' ' 30' ' ' PHE . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 49' ' ' SER . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 52' ' ' VAL . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 66' ' ' PHE . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 6' ' ' PHE . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' B' ' 5' ' ' ILE . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -148.16 130.6 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.41 108.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -133.71 97.48 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 164.2 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.98 100.84 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 69' ' ' TYR . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' B' ' 47' ' ' ILE . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.928 HG21 HD21 ' B' ' 19' ' ' LEU . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.928 HD21 HG21 ' B' ' 8' ' ' ILE . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.747 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' HG21 ' A' ' 44' ' ' VAL . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.575 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.441 HG11 ' HG3' ' A' ' 33' ' ' GLN . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.498 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.747 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 52' ' ' VAL . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' B' ' 6' ' ' PHE . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.486 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 56' ' ' LEU . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.414 ' HB2' HG13 ' B' ' 64' ' ' ILE . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.607 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' B' ' 6' ' ' PHE . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -94.94 105.86 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD3' HD23 ' A' ' 46' ' ' LEU . 17.9 ttmt -98.43 165.92 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 44' ' ' VAL . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HE1' HG23 ' A' ' 52' ' ' VAL . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.051 HG21 HD21 ' A' ' 19' ' ' LEU . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.051 HD21 HG21 ' A' ' 8' ' ' ILE . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.591 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.542 HG11 HG21 ' B' ' 44' ' ' VAL . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 32' ' ' TRP . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 3' ' ' LYS . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' A' ' 30' ' ' PHE . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.742 HG22 HD12 ' A' ' 56' ' ' LEU . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 52' ' ' VAL . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.694 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 64' ' ' ILE . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 59' ' ' LEU . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.75 149.82 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -51.93 112.47 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 51.68 52.95 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.809 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.442 ' HE3' HD23 ' B' ' 46' ' ' LEU . 0.0 OUTLIER -97.87 175.35 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.88 103.62 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' B' ' 52' ' ' VAL . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.74 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.469 ' HD1' HD12 ' B' ' 19' ' ' LEU . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.67 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' B' ' 37' ' ' THR . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 38' ' ' GLU . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.542 HG21 HG11 ' A' ' 44' ' ' VAL . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.453 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.442 HD23 ' HE3' ' B' ' 3' ' ' LYS . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.67 HG22 ' CG ' ' B' ' 30' ' ' PHE . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.636 ' O ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.636 HG12 ' O ' ' B' ' 49' ' ' SER . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.416 ' N ' HG13 ' B' ' 52' ' ' VAL . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.616 HD13 ' CG ' ' B' ' 66' ' ' PHE . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' B' ' 59' ' ' LEU . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' B' ' 6' ' ' PHE . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 47' ' ' ILE . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.834 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.834 HD21 HG21 ' A' ' 8' ' ' ILE . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CG ' HG22 ' A' ' 47' ' ' ILE . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.494 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' B' ' 44' ' ' VAL . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' HG3' ' B' ' 33' ' ' GLN . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.62 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' A' ' 6' ' ' PHE . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' B' ' 5' ' ' ILE . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 69' ' ' TYR . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.672 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 1.045 HG21 HD21 ' B' ' 19' ' ' LEU . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.505 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' B' ' 10' ' ' PRO . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 1.045 HD21 HG21 ' B' ' 8' ' ' ILE . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.741 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 8' ' ' ILE . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.476 HG21 ' HG3' ' A' ' 33' ' ' GLN . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.407 HG22 HG23 ' B' ' 47' ' ' ILE . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.741 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 52' ' ' VAL . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.672 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.473 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' B' ' 66' ' ' PHE . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.657 HD21 HD13 ' B' ' 8' ' ' ILE . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.513 HD12 HD23 ' B' ' 59' ' ' LEU . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . 0.407 ' HD2' HG23 ' B' ' 64' ' ' ILE . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.734 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 47' ' ' ILE . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.892 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 39' ' ' PRO . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.892 HD21 HG21 ' A' ' 8' ' ' ILE . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.682 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.554 HE21 HD13 ' A' ' 46' ' ' LEU . 49.1 mm-40 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 8' ' ' ILE . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD13 HE21 ' A' ' 33' ' ' GLN . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.682 HG22 ' CG ' ' A' ' 30' ' ' PHE . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' VAL . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 4' ' ' THR . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 66' ' ' PHE . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 6' ' ' PHE . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.752 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' B' ' 39' ' ' PRO . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' B' ' 19' ' ' LEU . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.424 HD21 HG22 ' B' ' 43' ' ' VAL . 1.2 p-10 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.564 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.424 HG22 HD21 ' B' ' 34' ' ' ASN . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.445 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.632 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' CE1' ' B' ' 66' ' ' PHE . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' B' ' 56' ' ' LEU . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.804 HG21 HD21 ' A' ' 19' ' ' LEU . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 42' ' ' PRO . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.804 HD21 HG21 ' A' ' 8' ' ' ILE . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.733 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.6 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' B' ' 44' ' ' VAL . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' HG3' ' B' ' 33' ' ' GLN . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.6 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.733 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.609 ' O ' HG12 ' A' ' 52' ' ' VAL . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 52' ' ' VAL . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.55 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.55 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.317 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' B' ' 44' ' ' VAL . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' B' ' 52' ' ' VAL . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.833 HG21 HD21 ' B' ' 19' ' ' LEU . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' B' ' 42' ' ' PRO . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.833 HD21 HG21 ' B' ' 8' ' ' ILE . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.418 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 33' ' ' GLN . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' B' ' 30' ' ' PHE . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.443 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.55 ' CG2' HG21 ' B' ' 4' ' ' THR . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE2' ' B' ' 66' ' ' PHE . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' B' ' 56' ' ' LEU . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 52' ' ' VAL . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.836 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.889 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' PRO . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD21 HG21 ' A' ' 8' ' ' ILE . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.836 HG22 HG12 ' A' ' 7' ' ' VAL . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.677 HG22 ' CG ' ' A' ' 30' ' ' PHE . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 6' ' ' PHE . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 52' ' ' VAL . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 66' ' ' PHE . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 66' ' ' PHE . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 59' ' ' LEU . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 4' ' ' THR . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.591 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' B' ' 47' ' ' ILE . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 67' ' ' THR . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.949 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' B' ' 39' ' ' PRO . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.949 HD21 HG21 ' B' ' 8' ' ' ILE . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.688 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.563 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.457 HG22 HG12 ' B' ' 7' ' ' VAL . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 8' ' ' ILE . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.688 HG22 ' CG ' ' B' ' 30' ' ' PHE . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.493 ' O ' HG22 ' B' ' 52' ' ' VAL . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.591 HG11 HG21 ' B' ' 4' ' ' THR . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.635 HD12 ' CE1' ' B' ' 66' ' ' PHE . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.595 HD23 HD12 ' B' ' 64' ' ' ILE . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.595 HD12 HD23 ' B' ' 59' ' ' LEU . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.635 ' CE1' HD12 ' B' ' 56' ' ' LEU . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.507 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.572 HG23 HG22 ' B' ' 4' ' ' THR . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.432 ' OH ' HG21 ' B' ' 67' ' ' THR . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' B' ' 4' ' ' THR . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' B' ' 69' ' ' TYR . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.628 HG21 HD21 ' A' ' 19' ' ' LEU . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD21 HG21 ' A' ' 8' ' ' ILE . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CG ' HG22 ' A' ' 47' ' ' ILE . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 32' ' ' TRP . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 7' ' ' VAL . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.716 HG22 ' CG ' ' A' ' 30' ' ' PHE . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 52' ' ' VAL . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 49' ' ' SER . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 56' ' ' LEU . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.445 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 66' ' ' PHE . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.609 HG22 ' OE1' ' B' ' 71' ' ' GLU . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' CE1' ' A' ' 6' ' ' PHE . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.769 HG21 HG11 ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.765 0.317 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.961 HG21 HD21 ' B' ' 19' ' ' LEU . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.961 HD21 HG21 ' B' ' 8' ' ' ILE . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.724 ' CG ' HG22 ' B' ' 47' ' ' ILE . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.597 ' HZ3' HG11 ' B' ' 43' ' ' VAL . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.401 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.597 HG11 ' HZ3' ' B' ' 32' ' ' TRP . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.465 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.724 HG22 ' CG ' ' B' ' 30' ' ' PHE . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.769 HG11 HG21 ' B' ' 4' ' ' THR . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' B' ' 66' ' ' PHE . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.493 HD23 HD12 ' B' ' 64' ' ' ILE . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.493 HD12 HD23 ' B' ' 59' ' ' LEU . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' B' ' 56' ' ' LEU . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.609 ' OE1' HG22 ' A' ' 67' ' ' THR . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.744 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' B' ' 69' ' ' TYR . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.438 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 10' ' ' PRO . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 8' ' ' ILE . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' HG3' HG21 ' B' ' 44' ' ' VAL . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 7' ' ' VAL . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.429 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.637 HG22 ' CG ' ' A' ' 30' ' ' PHE . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 52' ' ' VAL . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 4' ' ' THR . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.722 0.296 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' B' ' 44' ' ' VAL . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.711 ' CG2' HD21 ' B' ' 19' ' ' LEU . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' PRO . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.404 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 39' ' ' PRO . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.711 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 44' ' ' VAL . 76.9 mm-40 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' B' ' 5' ' ' ILE . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' B' ' 30' ' ' PHE . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.565 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.76 HG22 HD12 ' B' ' 56' ' ' LEU . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 52' ' ' VAL . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.709 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.76 HD12 HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' B' ' 59' ' ' LEU . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.43 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' B' ' 69' ' ' TYR . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CG ' HG22 ' A' ' 47' ' ' ILE . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 7' ' ' VAL . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.736 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.462 ' HA ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 4' ' ' THR . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.414 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 66' ' ' PHE . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 59' ' ' LEU . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 7' ' ' VAL . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' B' ' 72' ' ' GLU . 19.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.688 HG23 HD12 ' B' ' 46' ' ' LEU . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' B' ' 19' ' ' LEU . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' B' ' 42' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' B' ' 14' ' ' GLU . 44.9 t30 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.413 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' B' ' 47' ' ' ILE . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.456 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.769 ' HB3' HG11 ' B' ' 43' ' ' VAL . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 42' ' ' PRO . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' B' ' 36' ' ' PRO . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 8' ' ' ILE . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.688 HD12 HG23 ' B' ' 5' ' ' ILE . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' B' ' 30' ' ' PHE . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' B' ' 49' ' ' SER . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.509 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 8' ' ' ILE . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.402 HD12 HD23 ' B' ' 59' ' ' LEU . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 5' ' ' ILE . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 70' ' ' VAL . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.82 HG21 HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' B' ' 69' ' ' TYR . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.043 HG22 HG12 ' A' ' 44' ' ' VAL . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.874 HG21 HD21 ' A' ' 19' ' ' LEU . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 8' ' ' ILE . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.453 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.701 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 36' ' ' PRO . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 7' ' ' VAL . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CD1' HD12 ' A' ' 8' ' ' ILE . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.719 HG22 ' CG ' ' A' ' 30' ' ' PHE . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 4' ' ' THR . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 ' HE3' ' A' ' 60' ' ' LYS . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 HD12 ' A' ' 64' ' ' ILE . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HE3' HD22 ' A' ' 56' ' ' LEU . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.486 HD12 HD23 ' A' ' 59' ' ' LEU . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.559 HG21 HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.437 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.626 HG12 HG22 ' B' ' 44' ' ' VAL . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.729 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.403 ' ND2' ' H ' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.403 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' B' ' 10' ' ' PRO . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.729 HD21 ' CG2' ' B' ' 8' ' ' ILE . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.674 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.431 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.431 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.626 HG22 HG12 ' B' ' 7' ' ' VAL . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.674 HG22 ' CG ' ' B' ' 30' ' ' PHE . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.481 ' HA ' HG23 ' B' ' 52' ' ' VAL . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 4' ' ' THR . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 56' ' ' LEU . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' B' ' 66' ' ' PHE . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.47 ' CG ' HD13 ' B' ' 59' ' ' LEU . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.519 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 ' CE2' ' B' ' 69' ' ' TYR . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 47' ' ' ILE . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.974 HG21 HD21 ' A' ' 19' ' ' LEU . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.974 HD21 HG21 ' A' ' 8' ' ' ILE . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 7' ' ' VAL . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.679 HG22 ' CG ' ' A' ' 30' ' ' PHE . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 4' ' ' THR . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 64' ' ' ILE . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 59' ' ' LEU . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HZ ' HD23 ' A' ' 56' ' ' LEU . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 4' ' ' THR . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.662 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.641 HG21 HD21 ' B' ' 19' ' ' LEU . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.641 HD21 HG21 ' B' ' 8' ' ' ILE . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.709 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.418 ' HG3' HG21 ' A' ' 44' ' ' VAL . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' B' ' 36' ' ' PRO . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.709 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.441 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.662 HG13 ' CE1' ' B' ' 6' ' ' PHE . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.435 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' B' ' 55' ' ' PHE . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 66' ' ' PHE . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.683 ' CD2' HD13 ' B' ' 59' ' ' LEU . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' B' ' 6' ' ' PHE . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.667 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.881 HG21 HD21 ' A' ' 19' ' ' LEU . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 10' ' ' PRO . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 8' ' ' ILE . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HD12 ' A' ' 8' ' ' ILE . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.621 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.667 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 52' ' ' VAL . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 66' ' ' PHE . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 8' ' ' ILE . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 59' ' ' LEU . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.447 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HE2' HG11 ' A' ' 7' ' ' VAL . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' B' ' 72' ' ' GLU . 10.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.677 ' HE1' HG23 ' B' ' 52' ' ' VAL . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.763 ' CG2' HD21 ' B' ' 19' ' ' LEU . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.763 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.695 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.512 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.519 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.512 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.695 HG22 ' CG ' ' B' ' 30' ' ' PHE . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.645 ' O ' HG12 ' B' ' 52' ' ' VAL . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.677 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.444 ' N ' HG13 ' B' ' 52' ' ' VAL . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 66' ' ' PHE . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' B' ' 66' ' ' PHE . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 70' ' ' VAL . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.73 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' B' ' 69' ' ' TYR . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.767 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 10' ' ' PRO . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD21 ' CG2' ' A' ' 8' ' ' ILE . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG21 ' HZ3' ' A' ' 32' ' ' TRP . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 7' ' ' VAL . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.584 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.671 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 52' ' ' VAL . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.73 HG21 HG21 ' A' ' 4' ' ' THR . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 66' ' ' PHE . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.646 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.541 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' B' ' 10' ' ' PRO . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.541 HD21 HG21 ' B' ' 8' ' ' ILE . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.511 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.746 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.519 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' VAL . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.679 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.679 HG21 ' HB3' ' B' ' 36' ' ' PRO . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.646 HG22 HG12 ' B' ' 7' ' ' VAL . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.519 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.436 HD23 HE21 ' B' ' 33' ' ' GLN . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' B' ' 30' ' ' PHE . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.558 ' O ' HG12 ' B' ' 52' ' ' VAL . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.747 HG22 HD12 ' B' ' 56' ' ' LEU . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 52' ' ' VAL . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 66' ' ' PHE . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.532 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 5' ' ' ILE . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.883 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 44' ' ' VAL . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.75 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' CG ' HG23 ' A' ' 44' ' ' VAL . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.667 ' HB3' HG21 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG21 ' HB3' ' A' ' 36' ' ' PRO . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.849 HG12 HG22 ' A' ' 7' ' ' VAL . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 47' ' ' ILE . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' PHE . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 4' ' ' THR . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 64' ' ' ILE . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 HD23 ' A' ' 59' ' ' LEU . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 4' ' ' THR . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.595 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.626 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.535 HG12 HG22 ' B' ' 44' ' ' VAL . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.755 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' B' ' 10' ' ' PRO . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.755 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.639 ' CG ' HG22 ' B' ' 47' ' ' ILE . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' B' ' 46' ' ' LEU . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.44 ' O ' HG13 ' B' ' 43' ' ' VAL . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.535 HG22 HG12 ' B' ' 7' ' ' VAL . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' B' ' 33' ' ' GLN . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' B' ' 30' ' ' PHE . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.626 HG13 ' CE1' ' B' ' 6' ' ' PHE . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 66' ' ' PHE . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' B' ' 56' ' ' LEU . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.402 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.439 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' HE1' HG23 ' A' ' 52' ' ' VAL . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 ' CG2' HD21 ' A' ' 19' ' ' LEU . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 10' ' ' PRO . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CD1' HG22 ' A' ' 47' ' ' ILE . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.516 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.91 HG22 HG12 ' A' ' 7' ' ' VAL . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.476 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CD1' ' A' ' 30' ' ' PHE . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 52' ' ' VAL . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 52' ' ' VAL . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 64' ' ' ILE . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.655 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 4' ' ' THR . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.481 HG22 ' CG2' ' B' ' 68' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.751 0.31 . . . . 0.0 111.107 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.661 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.595 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.41 ' HG3' HD13 ' B' ' 64' ' ' ILE . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' B' ' 39' ' ' PRO . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.463 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.703 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.515 HD12 HD12 ' B' ' 8' ' ' ILE . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' B' ' 30' ' ' PHE . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.622 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.695 HG22 HD12 ' B' ' 56' ' ' LEU . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 52' ' ' VAL . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.695 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.435 HD23 HD12 ' B' ' 64' ' ' ILE . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.401 ' HB2' HG13 ' B' ' 64' ' ' ILE . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.435 HD12 HD23 ' B' ' 59' ' ' LEU . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 52' ' ' VAL . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.753 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.758 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.66 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 7' ' ' VAL . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.451 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 ' CG ' ' A' ' 30' ' ' PHE . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 66' ' ' PHE . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' B' ' 5' ' ' ILE . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.602 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 69' ' ' TYR . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' B' ' 52' ' ' VAL . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.454 HG12 ' O ' ' B' ' 67' ' ' THR . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.736 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' B' ' 39' ' ' PRO . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.408 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.736 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.738 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.659 ' OD1' HG13 ' B' ' 43' ' ' VAL . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.416 HG22 ' O ' ' B' ' 37' ' ' THR . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.659 HG13 ' OD1' ' B' ' 34' ' ' ASN . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.738 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.469 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.602 ' CG2' HG21 ' B' ' 4' ' ' THR . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.454 ' O ' HG12 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.593 HG23 HG22 ' B' ' 4' ' ' THR . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG2' HD23 ' A' ' 46' ' ' LEU . 16.5 tppt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.823 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.913 HG21 HD21 ' A' ' 19' ' ' LEU . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 42' ' ' PRO . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 8' ' ' ILE . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 7' ' ' VAL . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 3' ' ' LYS . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.74 HG22 ' CG ' ' A' ' 30' ' ' PHE . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.562 ' CG2' HG21 ' A' ' 4' ' ' THR . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 4' ' ' THR . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.48 HG22 HG23 ' B' ' 68' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.505 ' CG2' HG23 ' B' ' 44' ' ' VAL . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.695 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 16' ' ' VAL . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 10' ' ' PRO . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.695 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.751 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.453 ' CG ' HG13 ' B' ' 44' ' ' VAL . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.685 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.685 HG21 ' HB3' ' B' ' 36' ' ' PRO . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' B' ' 5' ' ' ILE . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.534 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.751 HG22 ' CG ' ' B' ' 30' ' ' PHE . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.458 ' HA ' HG23 ' B' ' 52' ' ' VAL . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' B' ' 6' ' ' PHE . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' B' ' 66' ' ' PHE . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' B' ' 59' ' ' LEU . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.48 HG23 HG22 ' B' ' 4' ' ' THR . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' HG13 ' A' ' 52' ' ' VAL . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 44' ' ' VAL . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 39' ' ' PRO . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.717 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' B' ' 44' ' ' VAL . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 HG12 ' A' ' 7' ' ' VAL . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 8' ' ' ILE . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.717 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 6' ' ' PHE . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD13 ' CG ' ' A' ' 66' ' ' PHE . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 6' ' ' PHE . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.756 HG21 HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.69 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 1.018 HG21 HD21 ' B' ' 19' ' ' LEU . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' B' ' 10' ' ' PRO . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 1.018 HD21 HG21 ' B' ' 8' ' ' ILE . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' HG3' HG21 ' A' ' 44' ' ' VAL . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.663 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' B' ' 36' ' ' PRO . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.69 HG22 HG12 ' B' ' 7' ' ' VAL . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.441 ' O ' HG22 ' B' ' 52' ' ' VAL . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.756 HG11 HG21 ' B' ' 4' ' ' THR . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.648 HD23 ' HZ ' ' B' ' 66' ' ' PHE . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.648 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.566 ' CG2' HG22 ' B' ' 4' ' ' THR . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.759 HG21 HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' B' ' 69' ' ' TYR . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 19' ' ' LEU . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 8' ' ' ILE . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.623 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 HE21 HD13 ' A' ' 46' ' ' LEU . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' HG13 ' A' ' 43' ' ' VAL . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.771 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 36' ' ' PRO . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 HG21 ' HG3' ' B' ' 33' ' ' GLN . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.547 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HE21 ' A' ' 33' ' ' GLN . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' HA ' HG23 ' A' ' 52' ' ' VAL . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.759 HG21 HG21 ' A' ' 4' ' ' THR . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 66' ' ' PHE . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 6' ' ' PHE . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' B' ' 5' ' ' ILE . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.661 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.735 0.302 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.431 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.456 ' CZ ' HG22 ' B' ' 68' ' ' VAL . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.752 HG22 HD21 ' B' ' 19' ' ' LEU . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.404 ' HD1' HD12 ' B' ' 19' ' ' LEU . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CD1' HG22 ' B' ' 47' ' ' ILE . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 44' ' ' VAL . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.588 ' OD1' HG13 ' B' ' 43' ' ' VAL . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.765 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' B' ' 36' ' ' PRO . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.563 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.595 HG22 ' CD1' ' B' ' 30' ' ' PHE . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.457 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.661 HG21 HG21 ' B' ' 4' ' ' THR . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' B' ' 66' ' ' PHE . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 59' ' ' LEU . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 5' ' ' ILE . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.87 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' B' ' 69' ' ' TYR . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.866 HG21 HD21 ' A' ' 19' ' ' LEU . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.866 HD21 HG21 ' A' ' 8' ' ' ILE . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' HG3' HG21 ' B' ' 44' ' ' VAL . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.68 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 4' ' ' THR . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 66' ' ' PHE . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 64' ' ' ILE . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 59' ' ' LEU . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 56' ' ' LEU . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 4' ' ' THR . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.627 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' B' ' 44' ' ' VAL . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.503 ' CE1' HG13 ' B' ' 68' ' ' VAL . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.773 HG22 HD21 ' B' ' 19' ' ' LEU . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.773 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' B' ' 30' ' ' PHE . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.72 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.593 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.599 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 36' ' ' PRO . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.488 HG21 ' HG3' ' A' ' 33' ' ' GLN . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.6 HG22 HG23 ' B' ' 47' ' ' ILE . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.72 HG22 ' CG ' ' B' ' 30' ' ' PHE . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG22 ' B' ' 52' ' ' VAL . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.627 HG11 HG21 ' B' ' 4' ' ' THR . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' B' ' 66' ' ' PHE . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.583 ' CZ ' HD12 ' B' ' 56' ' ' LEU . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' CE1' ' B' ' 6' ' ' PHE . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 5' ' ' ILE . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 4' ' ' THR . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 46' ' ' LEU . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 52' ' ' VAL . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 44' ' ' VAL . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.757 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.459 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' B' ' 44' ' ' VAL . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.446 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 7' ' ' VAL . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 5' ' ' ILE . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.693 HG22 ' CG ' ' A' ' 30' ' ' PHE . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 49' ' ' SER . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 52' ' ' VAL . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 66' ' ' PHE . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 6' ' ' PHE . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' B' ' 5' ' ' ILE . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 69' ' ' TYR . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' B' ' 47' ' ' ILE . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.928 HG21 HD21 ' B' ' 19' ' ' LEU . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.928 HD21 HG21 ' B' ' 8' ' ' ILE . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.747 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' HG21 ' A' ' 44' ' ' VAL . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.575 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.441 HG11 ' HG3' ' A' ' 33' ' ' GLN . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.498 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.747 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 52' ' ' VAL . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' B' ' 6' ' ' PHE . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.486 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 56' ' ' LEU . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.414 ' HB2' HG13 ' B' ' 64' ' ' ILE . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.607 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' B' ' 6' ' ' PHE . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD3' HD23 ' A' ' 46' ' ' LEU . 17.9 ttmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.83 0.347 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 44' ' ' VAL . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HE1' HG23 ' A' ' 52' ' ' VAL . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.051 HG21 HD21 ' A' ' 19' ' ' LEU . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.051 HD21 HG21 ' A' ' 8' ' ' ILE . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.591 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.542 HG11 HG21 ' B' ' 44' ' ' VAL . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 32' ' ' TRP . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 3' ' ' LYS . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' A' ' 30' ' ' PHE . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.742 HG22 HD12 ' A' ' 56' ' ' LEU . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 52' ' ' VAL . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.694 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 64' ' ' ILE . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 59' ' ' LEU . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' B' ' 52' ' ' VAL . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.74 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.469 ' HD1' HD12 ' B' ' 19' ' ' LEU . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.67 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' B' ' 37' ' ' THR . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 38' ' ' GLU . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.542 HG21 HG11 ' A' ' 44' ' ' VAL . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.453 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.67 HG22 ' CG ' ' B' ' 30' ' ' PHE . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.636 ' O ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.636 HG12 ' O ' ' B' ' 49' ' ' SER . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.416 ' N ' HG13 ' B' ' 52' ' ' VAL . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.616 HD13 ' CG ' ' B' ' 66' ' ' PHE . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' B' ' 59' ' ' LEU . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' B' ' 6' ' ' PHE . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -114.24 88.9 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -97.86 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.498 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -101.22 115.72 31.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.64 115.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 47' ' ' ILE . 3.8 m-85 -99.91 115.21 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.65 109.65 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.834 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mt -104.05 142.29 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.3 t -128.49 96.37 30.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.73 146.51 60.59 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 p -131.71 26.13 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -175.01 162.81 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -55.93 -34.55 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.46 -47.94 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.41 -45.71 86.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.34 -54.04 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.24 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.42 -47.2 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD21 HG21 ' A' ' 8' ' ' ILE . 78.1 mt -63.22 -44.46 95.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.5 -31.06 68.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -49.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -30.83 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.78 -29.93 55.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -67.9 -25.74 65.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.01 99.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.43 -17.69 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.47 -23.36 66.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.76 -46.62 62.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.6 t30 63.86 32.87 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CG ' HG22 ' A' ' 47' ' ' ILE . 16.9 m-85 -77.18 -175.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -124.91 95.75 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.494 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 64.3 m95 -81.09 137.28 35.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' B' ' 44' ' ' VAL . 57.1 mm-40 -91.85 -42.5 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -136.72 152.18 73.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 118.5 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 78.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.386 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.9 -36.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -85.46 117.51 68.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.23 72.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -89.62 136.53 29.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 101.05 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.96 116.53 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' HG3' ' B' ' 33' ' ' GLN . 18.8 t -93.85 137.88 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 28.4 mt -143.33 112.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -82.42 105.43 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.62 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.3 pt -117.69 152.28 49.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.51 56.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.74 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.74 6.51 38.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 95.5 mmm -134.51 7.76 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.6 m -72.17 -38.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.44 -40.68 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -63.07 -52.16 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -38.37 90.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -58.87 -54.28 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.65 -28.59 67.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -53.37 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.83 -36.72 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -64.96 -34.77 79.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.95 82.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -17.33 43.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.09 46.99 7.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mt -97.66 131.69 26.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.99 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -128.12 175.18 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -145.66 118.15 8.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' A' ' 6' ' ' PHE . 37.7 t -90.84 126.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' B' ' 5' ' ' ILE . 90.2 m-85 -119.39 157.41 28.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.11 152.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -52.65 104.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' B' ' 70' ' ' VAL . 1.5 pp20? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -83.3 104.93 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.34 160.89 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.87 103.59 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 69' ' ' TYR . 30.6 mt -90.82 116.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.672 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.4 m-85 -105.19 115.13 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.35 114.47 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 1.045 HG21 HD21 ' B' ' 19' ' ' LEU . 16.5 mt -117.24 121.78 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -116.53 109.43 43.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.505 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.82 147.13 61.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.3 p -116.0 -1.35 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.4 179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.52 -33.68 71.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.81 -53.83 53.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.72 -46.21 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' B' ' 10' ' ' PRO . 53.8 t -58.12 -54.44 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.0 81.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 1.045 HD21 HG21 ' B' ' 8' ' ' ILE . 88.1 mt -70.6 -51.66 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.59 -25.84 68.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -50.04 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -63.26 -30.56 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.58 67.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.88 -25.01 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.15 100.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.81 -17.49 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -67.9 -18.7 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.54 -46.54 46.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.82 32.28 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.741 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.09 -175.4 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.5 95.4 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.68 127.56 33.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.0 mm-40 -82.06 -40.35 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -144.89 146.98 33.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.72 112.79 3.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.78 76.82 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.39 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -114.83 -11.33 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.24 122.04 38.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.689 0.757 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.97 41.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.08 70.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -101.0 120.79 54.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.07 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 8' ' ' ILE . 7.3 p -86.16 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.476 HG21 ' HG3' ' A' ' 33' ' ' GLN . 46.7 t -97.89 119.0 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.407 HG22 HG23 ' B' ' 47' ' ' ILE . 33.0 mt -120.15 112.9 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.08 96.68 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.741 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.3 pt -111.03 152.25 43.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.16 54.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 52' ' ' VAL . 4.1 m -66.65 -13.21 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -86.87 -6.68 58.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.8 mmm -121.97 6.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.672 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.6 p -63.31 -43.13 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.0 mm-40 -67.8 -35.2 78.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -64.38 -52.67 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.473 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.7 -47.58 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' B' ' 66' ' ' PHE . 10.8 tp -51.85 -54.64 26.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.33 -34.89 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -49.91 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.657 HD21 HD13 ' B' ' 8' ' ' ILE . 46.8 mt -68.47 -37.44 80.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.12 -34.81 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.6 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -88.88 -20.59 24.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.28 40.76 9.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.513 HD12 HD23 ' B' ' 59' ' ' LEU . 21.5 mt -85.44 133.26 42.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . 0.407 ' HD2' HG23 ' B' ' 64' ' ' ILE . 53.5 Cg_endo -69.82 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.7 p90 -122.04 175.77 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -149.39 113.9 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.04 139.2 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.65 147.79 52.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 72' ' ' GLU . 15.9 m -141.44 153.4 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.27 108.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.02 40.97 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -98.02 168.78 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.734 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.96 116.42 29.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mt -97.93 115.81 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 47' ' ' ILE . 4.4 m-85 -100.33 114.46 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.89 109.6 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.892 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -105.98 142.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 10.2 t -128.53 103.81 19.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.5 Cg_endo -69.71 140.36 42.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.39 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -119.43 18.81 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -179.24 176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.93 -37.25 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.13 -48.96 77.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.74 -51.2 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 39' ' ' PRO . 59.2 t -55.82 -54.55 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.72 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.892 HD21 HG21 ' A' ' 8' ' ' ILE . 81.9 mt -65.66 -49.87 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -65.98 -25.72 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.54 -50.3 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -31.14 72.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.44 -28.37 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -68.18 -26.75 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -57.55 100.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.84 -17.35 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.85 -21.12 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 -46.74 58.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 65.32 32.08 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.682 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.3 m-30 -78.89 -175.62 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -129.82 95.66 4.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 54.7 m95 -78.15 135.75 37.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.554 HE21 HD13 ' A' ' 46' ' ' LEU . 49.1 mm-40 -86.94 -43.45 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 152.64 78.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.4 -36.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -82.69 113.49 45.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 129.55 17.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.46 -0.93 66.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.82 146.31 31.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.22 6.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 20.2 t -109.55 114.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.68 138.91 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 8' ' ' ILE . 34.3 mt -140.9 112.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD13 HE21 ' A' ' 33' ' ' GLN . 4.5 mp -82.2 106.45 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.682 HG22 ' CG ' ' A' ' 30' ' ' PHE . 24.1 pt -120.65 152.15 55.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.657 0.741 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.42 63.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 52' ' ' VAL . 11.5 t -63.93 -15.83 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -89.06 7.53 34.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.4 mmm -133.89 7.03 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 4' ' ' THR . 28.2 m -72.08 -38.92 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.81 -47.11 86.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -59.75 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -32.25 73.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -63.14 -55.31 26.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.59 -31.85 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.46 -52.2 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 66' ' ' PHE . 69.3 mt -69.23 -40.33 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -64.4 -35.14 79.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.63 -42.74 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -90.42 -22.69 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.52 39.78 8.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -87.57 132.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.6 p90 -130.79 175.15 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -146.23 116.71 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 6' ' ' PHE . 28.7 t -91.47 119.43 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.19 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.53 145.58 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.19 110.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.886 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -146.48 98.0 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -98.4 164.05 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.8 112.35 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.82 115.82 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.9 m-85 -101.86 111.65 23.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.62 109.18 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.752 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.7 mt -103.45 142.19 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.6 t -128.52 97.88 26.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 144.86 55.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -127.55 23.98 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -175.04 163.2 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.01 -37.71 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -50.24 74.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.14 -49.62 75.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' B' ' 39' ' ' PRO . 68.0 t -58.91 -46.76 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.03 83.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' B' ' 19' ' ' LEU . 66.5 t80 -68.03 -44.5 76.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -66.69 -47.78 71.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.02 -31.64 72.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.66 57.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.6 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.96 -30.98 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -66.43 -24.03 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.96 95.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.13 -19.58 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.54 -22.07 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.43 -46.61 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 64.59 32.54 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 18.8 m-30 -78.23 -179.53 6.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -122.57 95.69 4.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.4 m95 -79.56 136.7 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -90.34 -41.06 11.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.424 HD21 HG22 ' B' ' 43' ' ' VAL . 1.2 p-10 -137.48 153.05 74.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.09 6.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.24 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.49 -34.03 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.91 112.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.679 0.752 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.564 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.77 130.64 19.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 -2.21 66.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -94.5 144.01 27.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.84 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.424 HG22 HD21 ' B' ' 34' ' ' ASN . 40.3 t -92.51 114.22 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.04 138.85 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.445 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 34.7 mt -141.85 112.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.3 109.19 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 30.7 pt -122.0 152.41 59.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.58 56.43 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.632 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.6 t -66.17 -13.96 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.24 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.6 mmm -124.3 6.21 8.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.681 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.7 p -64.67 -43.21 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 52' ' ' VAL . 6.6 mm-40 -67.64 -36.36 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.2 -52.42 58.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.74 -48.19 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' CE1' ' B' ' 66' ' ' PHE . 12.3 tp -51.78 -53.03 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.0 -34.05 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -51.95 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.82 -34.84 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.08 -34.63 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.01 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -94.1 -24.3 17.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.22 41.49 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.86 132.39 31.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' B' ' 56' ' ' LEU . 24.5 p90 -129.22 175.29 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -146.06 116.15 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.71 122.32 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -110.14 151.5 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.21 143.22 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -51.89 111.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 95.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 151.29 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.08 109.09 20.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -94.49 115.87 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.3 m-85 -103.29 115.33 30.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.51 109.64 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.804 HG21 HD21 ' A' ' 19' ' ' LEU . 3.7 mp -103.3 141.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 42' ' ' PRO . 15.8 t -128.61 94.52 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 146.66 60.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -130.36 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -177.11 157.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -50.86 -32.84 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -64.07 -50.16 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.55 -53.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.13 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -66.92 -46.51 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.804 HD21 HG21 ' A' ' 8' ' ' ILE . 83.2 mt -63.47 -47.17 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -68.33 -29.55 68.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.31 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.1 pp -65.84 -30.82 71.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.62 -27.1 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.98 -27.83 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.69 100.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.53 -16.56 61.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.52 -21.01 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -70.9 -47.22 60.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.9 t30 64.95 32.52 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.733 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.6 m-30 -79.21 -175.81 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.85 95.61 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.6 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 65.1 m95 -79.32 130.82 35.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' B' ' 44' ' ' VAL . 58.3 mm-40 -83.7 -35.93 24.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -144.64 152.45 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.48 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -127.64 -37.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.5 116.95 67.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.39 25.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.24 -7.59 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -89.11 135.82 31.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.69 100.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 58.2 t -85.86 116.39 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' HG3' ' B' ' 33' ' ' GLN . 97.7 t -93.81 135.41 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.6 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 47.7 mt -136.49 120.49 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.85 106.05 17.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.733 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.0 pt -120.4 151.99 54.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.66 48.88 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.609 ' O ' HG12 ' A' ' 52' ' ' VAL . 69.8 m -66.52 -13.8 61.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.42 -6.97 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -123.48 6.85 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.37 -43.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 52' ' ' VAL . 22.3 mt-10 -68.51 -35.56 77.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.27 -52.61 61.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -41.62 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -55.82 -55.2 35.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.68 -31.63 72.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.55 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.2 -52.84 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -69.1 -32.32 71.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -68.94 -34.76 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -36.51 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -94.55 -24.73 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.67 31.24 11.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -78.44 130.04 72.75 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.11 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.289 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -123.92 175.02 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -146.51 118.9 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.27 126.2 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.4 153.94 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.69 163.54 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.99 147.3 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.542 ' HG2' HG12 ' B' ' 70' ' ' VAL . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -73.6 97.0 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -98.01 167.54 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.55 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER -109.37 115.34 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' B' ' 44' ' ' VAL . 10.3 mt -102.98 115.7 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' B' ' 52' ' ' VAL . 3.1 m-85 -98.24 116.24 30.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.3 108.96 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.833 HG21 HD21 ' B' ' 19' ' ' LEU . 17.1 mt -107.64 138.57 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' B' ' 42' ' ' PRO . 9.2 t -128.2 98.78 25.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.41 47.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.3 p -126.42 24.22 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.74 164.32 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.37 -36.33 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.96 -49.44 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.2 -50.28 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.0 t -57.92 -51.94 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.22 82.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.0 -43.4 83.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.833 HD21 HG21 ' B' ' 8' ' ' ILE . 60.5 mt -67.0 -47.38 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -67.93 -27.94 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.81 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.02 -29.96 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -67.95 -22.48 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.99 95.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.66 -20.5 65.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.71 -19.97 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.7 -45.47 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 65.55 31.45 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.0 m-30 -78.54 176.73 9.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -121.63 95.51 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 62.5 m95 -80.5 135.85 36.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 44' ' ' VAL . 15.5 mm-40 -89.38 -38.34 14.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -143.18 148.6 45.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.3 Cg_endo -69.8 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 54.0 Cg_endo -69.76 77.86 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -121.07 -34.11 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -90.82 121.13 68.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.8 33.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.24 -5.96 81.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -90.23 136.08 29.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.418 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.81 108.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -93.26 121.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 33' ' ' GLN . 60.0 t -98.59 126.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.46 112.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.18 102.14 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' B' ' 30' ' ' PHE . 34.1 pt -111.97 152.46 44.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.1 54.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.443 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.62 -15.32 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.17 10.08 30.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -138.22 10.47 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.55 ' CG2' HG21 ' B' ' 4' ' ' THR . 90.6 t -72.47 -49.6 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.94 -41.01 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -63.39 -53.46 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.85 -36.27 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE2' ' B' ' 66' ' ' PHE . 12.8 tp -60.65 -54.9 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -61.76 -35.77 79.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -62.51 -47.82 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.4 mm? -63.52 -53.02 58.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -60.5 -34.35 73.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.35 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -76.74 -7.4 55.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.61 46.18 70.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.9 mt -104.36 133.2 20.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 111.65 2.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' B' ' 56' ' ' LEU . 5.6 p90 -138.18 176.0 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -154.09 115.17 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.3 p -87.43 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -123.99 153.07 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.542 HG12 ' HG2' ' A' ' 72' ' ' GLU . 9.3 p -130.84 152.55 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.98 145.04 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -81.52 100.03 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.975 0.417 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 174.97 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -129.22 119.3 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -107.08 118.62 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 52' ' ' VAL . 3.3 m-85 -105.58 116.55 32.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.836 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -108.97 109.76 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.889 HG21 HD21 ' A' ' 19' ' ' LEU . 3.2 mt -103.6 140.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.38 96.63 30.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.02 64.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -130.59 25.53 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -175.36 161.24 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -54.05 -34.18 59.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.19 -48.62 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.03 -45.84 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' PRO . 68.8 t -64.1 -54.18 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.8 70.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -68.37 -47.72 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD21 HG21 ' A' ' 8' ' ' ILE . 67.0 mt -62.7 -45.7 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -69.29 -31.22 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -51.51 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.61 -28.13 44.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -68.42 -28.12 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.66 101.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.06 -16.8 61.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.64 -18.28 64.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.63 -46.99 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.99 32.14 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.5 m-30 -79.61 -175.59 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -129.15 95.7 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 57.7 m95 -78.38 136.42 37.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -89.11 -34.73 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.24 153.92 56.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.26 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 76.36 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -127.35 -35.09 2.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.11 113.39 45.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.598 0.713 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 126.83 13.76 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 4.84 61.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -98.54 143.39 26.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.69 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 38.7 t -94.26 115.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.836 HG22 HG12 ' A' ' 7' ' ' VAL . 61.0 t -93.76 141.34 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.2 mt -144.64 113.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.8 108.21 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.677 HG22 ' CG ' ' A' ' 30' ' ' PHE . 35.7 pt -121.63 152.37 58.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 157.58 59.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 t -66.4 -13.69 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.59 -5.45 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.6 mmm -120.83 5.11 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 6' ' ' PHE . 7.4 p -66.56 -41.62 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 52' ' ' VAL . 5.3 mm-40 -60.29 -42.92 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.61 -51.81 65.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.3 -29.02 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 66' ' ' PHE . 13.1 mt -66.99 -55.2 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 29.8 mt-10 -68.64 -28.21 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -53.33 27.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 66' ' ' PHE . 55.2 mt -69.44 -40.9 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -65.27 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' GLU . . . -55.34 -41.79 72.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -89.83 -27.0 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.64 28.33 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.62 130.82 72.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.31 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 59' ' ' LEU . 31.5 p90 -131.53 175.2 9.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.91 126.39 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 4' ' ' THR . 3.4 p -104.86 127.71 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -120.81 161.4 21.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -149.99 156.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -51.63 104.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m 61.78 54.28 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.933 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.1 175.11 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.591 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -107.19 120.51 42.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -94.34 115.68 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' B' ' 47' ' ' ILE . 2.4 m-85 -107.69 115.92 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 67' ' ' THR . 23.7 m -108.18 127.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.949 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -121.35 139.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 8.6 t -126.43 101.58 27.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.74 140.83 43.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.8 p -120.58 21.38 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.72 176.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.18 -39.23 89.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.79 -50.81 71.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.78 -51.34 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' B' ' 39' ' ' PRO . 59.5 t -56.1 -54.09 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.09 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -63.35 -40.83 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.949 HD21 HG21 ' B' ' 8' ' ' ILE . 96.8 mt -69.84 -51.07 36.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.94 -25.79 68.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.18 -50.8 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -62.29 -30.59 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -60.6 -30.0 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.58 -20.31 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.77 103.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 -17.58 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.92 -24.55 65.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.2 -47.0 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 t30 60.76 32.35 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.688 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.9 m-85 -73.81 -176.45 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 95.57 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.4 m95 -80.27 137.42 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -91.49 -37.59 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -141.26 151.47 61.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 76.22 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -125.7 -33.11 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -86.46 112.52 46.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.563 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.4 Cg_endo -69.8 130.23 18.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.282 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -0.29 66.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -99.13 146.56 31.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.68 114.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.457 HG22 HG12 ' B' ' 7' ' ' VAL . 61.9 t -93.45 141.48 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' B' ' 8' ' ' ILE . 35.5 mt -143.09 112.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.9 104.77 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.688 HG22 ' CG ' ' B' ' 30' ' ' PHE . 24.0 pt -117.95 152.12 49.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.729 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 156.09 64.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.493 ' O ' HG22 ' B' ' 52' ' ' VAL . 57.9 m -63.8 -16.36 61.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.34 7.66 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.5 mmm -135.01 8.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.591 HG11 HG21 ' B' ' 4' ' ' THR . 29.8 m -72.12 -38.04 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.05 -41.69 97.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.69 -50.8 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.7 -50.3 67.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.635 HD12 ' CE1' ' B' ' 66' ' ' PHE . 11.1 tp -52.08 -54.38 30.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.32 -33.75 76.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -53.49 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.595 HD23 HD12 ' B' ' 64' ' ' ILE . 16.5 mt -67.57 -36.16 80.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -66.88 -34.88 78.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.63 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -95.43 -27.78 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.09 35.1 6.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.595 HD12 HD23 ' B' ' 59' ' ' LEU . 12.6 mt -85.44 133.58 41.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 111.143 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 100.8 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.635 ' CE1' HD12 ' B' ' 56' ' ' LEU . 29.9 p90 -129.07 175.44 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.507 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -147.74 131.19 16.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.572 HG23 HG22 ' B' ' 4' ' ' THR . 2.6 p -108.35 132.39 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.432 ' OH ' HG21 ' B' ' 67' ' ' THR . 45.7 m-85 -127.42 166.6 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' B' ' 4' ' ' THR . 5.2 m -153.19 159.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -50.9 103.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -65.78 90.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 144.37 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.67 113.26 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' B' ' 69' ' ' TYR . 7.8 mt -95.34 134.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.2 m-85 -119.75 114.8 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.33 109.88 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG21 HD21 ' A' ' 19' ' ' LEU . 2.8 mp -103.01 142.17 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -128.34 96.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 144.56 54.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -127.06 23.42 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -174.46 164.16 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -57.15 -32.84 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.57 -51.62 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.35 -46.58 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.26 -54.06 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.82 -41.1 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD21 HG21 ' A' ' 8' ' ' ILE . 83.5 mt -68.77 -51.1 44.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.81 -26.14 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.49 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.02 -30.99 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.18 -29.9 58.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -67.68 -25.15 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -59.85 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -70.2 -19.37 63.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.98 -21.88 66.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.46 -45.89 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.04 31.24 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CG ' HG22 ' A' ' 47' ' ' ILE . 21.6 m-30 -79.93 -175.16 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.29 95.74 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.615 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 46.1 m95 -74.07 147.85 42.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -112.96 -37.01 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.31 142.28 36.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.75 113.24 3.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 78.13 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -138.07 -41.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.43 118.27 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 132.65 23.76 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.74 -1.0 65.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -96.63 134.44 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 111.62 2.86 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 32' ' ' TRP . 64.3 t -103.96 118.42 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 7' ' ' VAL . 20.5 t -93.35 141.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 27.0 mt -144.01 113.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 111.9 18.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.716 HG22 ' CG ' ' A' ' 30' ' ' PHE . 48.2 pt -121.44 152.78 58.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.83 58.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 52' ' ' VAL . 9.1 t -66.05 -14.1 61.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.23 4.9 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.3 mmm -131.65 11.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 49' ' ' SER . 79.9 t -71.51 -56.3 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -51.74 -38.4 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -62.36 -52.97 61.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 56' ' ' LEU . 26.4 mt -64.88 -55.03 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.87 -30.36 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.445 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.1 ttt -66.22 -53.15 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 66' ' ' PHE . 43.1 mt -68.68 -41.49 79.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -65.21 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.43 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -88.49 -24.01 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.23 38.71 7.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -93.39 131.99 31.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.14 2.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.5 p90 -135.45 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.609 HG22 ' OE1' ' B' ' 71' ' ' GLU . 0.2 OUTLIER -138.76 145.26 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.204 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' CE1' ' A' ' 6' ' ' PHE . 15.3 t -114.42 120.68 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -109.87 149.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -122.39 149.22 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -72.46 92.91 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -124.02 97.92 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' B' ' 46' ' ' LEU . 16.1 mmmt -97.85 162.23 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.769 HG21 HG11 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -117.88 115.86 25.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mt -104.34 115.84 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.65 115.17 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.7 109.08 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.961 HG21 HD21 ' B' ' 19' ' ' LEU . 3.8 mt -106.89 141.13 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.3 t -128.4 99.59 23.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.71 143.1 50.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -127.62 22.48 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -174.84 163.9 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.94 -35.75 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.06 -49.62 75.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.62 -45.71 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -63.28 -52.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.36 -44.33 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.961 HD21 HG21 ' B' ' 8' ' ' ILE . 85.5 mt -66.73 -43.96 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.53 -31.79 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.91 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 22' ' ' LEU . 0.6 OUTLIER -63.44 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.29 -28.47 58.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -69.6 -23.37 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.71 96.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.48 -19.21 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.15 -20.44 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.38 -46.13 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 45.7 t30 66.05 30.76 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.724 ' CG ' HG22 ' B' ' 47' ' ' ILE . 22.9 m-30 -80.69 -175.16 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -132.83 95.45 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.597 ' HZ3' HG11 ' B' ' 43' ' ' VAL . 47.2 m95 -74.86 134.72 41.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.72 -38.42 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -140.71 154.17 68.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.69 117.58 5.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.7 Cg_endo -69.78 75.41 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.1 m -126.61 -34.07 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.71 113.2 51.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.3 Cg_endo -69.77 131.08 20.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.74 66.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.64 142.38 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.401 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.8 104.92 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.597 HG11 ' HZ3' ' B' ' 32' ' ' TRP . 45.9 t -91.69 114.43 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.8 130.97 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.465 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.8 mt -131.33 144.95 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.434 HD23 ' HE2' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -110.3 106.69 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.724 HG22 ' CG ' ' B' ' 30' ' ' PHE . 14.3 pt -121.54 151.66 57.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.15 61.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -64.31 -15.02 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.32 9.66 33.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -136.35 8.55 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.769 HG11 HG21 ' B' ' 4' ' ' THR . 29.4 m -73.79 -37.38 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -64.5 -51.71 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.41 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -63.79 -49.15 74.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' B' ' 66' ' ' PHE . 14.9 tp -51.62 -55.13 21.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttt -67.43 -46.77 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.493 HD23 HD12 ' B' ' 64' ' ' ILE . 14.3 mt -74.04 -35.11 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.19 -36.3 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -94.2 -23.57 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.81 41.36 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.493 HD12 HD23 ' B' ' 59' ' ' LEU . 14.1 mt -90.15 132.77 34.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.312 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.53 ' CE1' HD12 ' B' ' 56' ' ' LEU . 27.9 p90 -128.04 175.58 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -153.61 114.14 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -88.58 135.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.401 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 97.3 m-85 -117.56 150.69 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.92 134.53 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.609 ' OE1' HG22 ' A' ' 67' ' ' THR . 18.5 tp10 -52.1 134.03 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.74 106.29 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.05 175.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.744 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -115.96 115.43 26.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' B' ' 69' ' ' TYR . 45.8 mt -97.25 115.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -103.81 116.68 32.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.438 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -109.73 123.35 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 HD21 ' A' ' 19' ' ' LEU . 3.4 mp -114.85 141.75 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 14.4 t -128.69 92.08 41.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 148.37 64.66 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -127.12 16.22 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -164.36 159.71 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -56.56 -32.6 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.5 -56.9 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.72 -44.88 95.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 10' ' ' PRO . 53.5 t -58.41 -49.11 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -62.62 -36.94 84.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.77 -45.76 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 8' ' ' ILE . 75.6 mt -64.28 -47.76 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 15.5 pt-20 -67.87 -28.54 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.73 44.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -64.0 -30.53 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.24 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -66.69 -24.34 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.35 100.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.19 -17.9 61.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -65.19 -23.68 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -71.44 -45.96 61.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 t30 64.58 32.01 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -76.2 -176.17 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.65 95.76 4.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 72.9 m95 -81.44 138.48 35.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' HG3' HG21 ' B' ' 44' ' ' VAL . 32.4 mm-40 -93.21 -39.57 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -145.99 145.94 26.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.79 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.79 78.23 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -112.43 -26.18 8.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.41 130.94 24.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.04 39.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.14 -6.7 83.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -88.59 123.72 67.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.1 p -85.73 123.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 7' ' ' VAL . 18.0 t -93.44 134.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.429 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 22.2 mt -136.04 112.58 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.82 98.35 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.637 HG22 ' CG ' ' A' ' 30' ' ' PHE . 21.7 pt -110.67 152.19 43.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 52' ' ' VAL . 8.2 m -65.35 -14.66 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -91.8 8.47 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.7 mmm -135.97 9.57 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 4' ' ' THR . 91.6 t -71.94 -50.6 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.21 -38.1 70.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -63.49 -53.12 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 11.7 tp -62.44 -54.05 45.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.57 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.15 -52.91 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.63 -35.03 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.15 -34.77 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -89.64 -23.2 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.93 39.86 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mt -97.37 131.79 26.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.73 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.8 p90 -133.02 175.67 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.53 144.52 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.63 124.8 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.92 156.1 27.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p -142.8 143.58 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -51.25 105.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.23 41.21 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -98.13 154.5 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 119.26 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' B' ' 44' ' ' VAL . 8.6 mt -110.08 116.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.7 m-85 -99.63 119.54 38.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.13 108.74 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.711 ' CG2' HD21 ' B' ' 19' ' ' LEU . 19.1 mt -106.64 138.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' PRO . 10.1 t -128.66 99.53 23.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.404 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -124.21 20.82 8.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -179.46 167.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -56.67 -34.48 67.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.45 -53.59 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.6 -49.38 73.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' B' ' 39' ' ' PRO . 78.2 t -55.99 -51.06 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -59.42 -40.26 86.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.52 -42.17 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.711 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.7 mp -69.78 -51.4 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 18.3 pt-20 -63.51 -25.64 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.11 -49.82 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.23 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.31 -29.34 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -66.96 -25.1 66.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.5 96.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -68.45 -20.34 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -64.81 -21.8 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.58 -45.88 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 t30 66.2 31.0 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.7 m-30 -78.55 174.76 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.91 94.75 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 65.9 m95 -77.59 129.67 35.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 44' ' ' VAL . 76.9 mm-40 -81.56 -36.89 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -144.21 151.22 51.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.6 Cg_endo -69.71 117.68 5.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.6 Cg_endo -69.8 72.21 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -124.81 -3.86 7.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 12.0 pt-20 -111.18 107.37 57.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.71 4.72 61.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -111.55 149.05 40.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 53.8 Cg_endo -69.78 131.8 21.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -120.02 116.74 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' B' ' 5' ' ' ILE . 97.4 t -94.19 133.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -134.55 112.69 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.71 99.57 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' B' ' 30' ' ' PHE . 4.7 pt -113.22 152.73 45.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 155.94 64.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.565 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.5 t -66.8 -13.39 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -87.66 -6.01 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.6 mmm -121.47 5.04 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.76 HG22 HD12 ' B' ' 56' ' ' LEU . 7.5 p -63.85 -41.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 52' ' ' VAL . 56.1 mt-10 -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.72 -52.11 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.709 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.12 -36.85 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.76 HD12 HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.52 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.1 -34.77 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -44.47 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -64.12 -49.88 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -66.15 -34.79 78.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.93 73.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -89.8 -19.31 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.42 45.49 7.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.546 ' HB ' HD13 ' B' ' 59' ' ' LEU . 9.6 mt -103.07 132.93 20.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.667 0.746 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' B' ' 59' ' ' LEU . 6.3 p90 -132.72 176.03 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -154.36 112.6 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.44 142.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.43 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.0 m-85 -127.79 154.42 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.92 150.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -52.55 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.88 40.48 30.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -97.96 174.84 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -110.57 116.14 30.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' B' ' 69' ' ' TYR . 11.5 mt -100.73 139.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 4.9 m-85 -123.49 129.22 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 HG22 ' A' ' 44' ' ' VAL . 2.7 m -117.54 109.74 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.9 mt -105.22 141.62 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 t -128.44 99.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.7 Cg_endo -69.8 144.93 55.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 p -125.01 21.99 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -179.4 166.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.1 -33.56 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.78 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.76 -49.09 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.0 t -56.58 -46.8 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.48 -39.59 94.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.09 -42.51 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.9 mp -69.22 -50.88 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 19.9 pt-20 -64.14 -25.85 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.96 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -65.86 -30.91 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.19 -29.12 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -68.81 -23.99 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -17.06 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.82 -18.46 63.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -73.37 -46.54 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 64.56 29.14 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CG ' HG22 ' A' ' 47' ' ' ILE . 22.8 m-30 -77.48 -176.08 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.09 95.38 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 58.6 m95 -77.49 137.04 38.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.38 -39.3 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -138.53 151.86 69.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.29 5.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.734 2.289 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 71.92 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.68 -26.36 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.71 110.45 43.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.9 Cg_endo -69.7 129.69 18.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.72 2.58 62.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -103.29 146.13 31.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.82 118.39 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 7' ' ' VAL . 89.0 t -93.54 139.75 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mt -145.15 119.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.09 113.8 25.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.736 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.1 pt -123.99 152.26 66.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 159.96 51.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HA ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -66.36 -13.64 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.44 4.44 53.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.5 mmm -130.81 11.49 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 4' ' ' THR . 91.8 t -71.94 -56.64 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -51.71 -38.3 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -62.65 -52.94 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.92 69.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.77 -55.0 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -69.43 -27.91 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.414 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.3 ttt -67.58 -53.2 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 66' ' ' PHE . 61.6 mt -69.36 -40.03 77.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -66.09 -34.66 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.39 87.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -85.48 -22.45 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.55 37.78 9.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.72 132.46 34.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 59' ' ' LEU . 22.4 p90 -128.84 175.11 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 7' ' ' VAL . 89.6 m -150.31 138.72 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 17.2 t -97.18 137.86 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -122.98 143.39 49.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' B' ' 72' ' ' GLU . 19.0 m -140.07 152.94 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 111.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.77 38.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.643 ' HD2' HD23 ' B' ' 46' ' ' LEU . 16.7 ptpt -98.37 175.16 6.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.41 116.48 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.688 HG23 HD12 ' B' ' 46' ' ' LEU . 53.2 mt -92.43 139.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.5 m-85 -126.07 110.81 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.33 109.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' B' ' 19' ' ' LEU . 12.2 mt -103.61 139.23 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' B' ' 42' ' ' PRO . 8.0 t -128.22 96.16 31.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 111.171 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.0 Cg_endo -69.76 146.01 58.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.371 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -129.02 24.96 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' B' ' 14' ' ' GLU . 44.9 t30 -175.79 159.13 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.54 -35.97 43.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.413 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 17.6 tt0 -60.36 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.66 -50.32 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.2 -52.68 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -39.41 75.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.94 -42.89 97.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -69.33 -51.57 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.88 -25.88 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -50.42 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -30.91 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.68 57.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -69.26 -23.56 63.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.59 95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -19.54 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.76 -23.43 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.27 -46.18 61.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 t30 64.13 32.56 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' B' ' 47' ' ' ILE . 16.1 m-85 -76.66 -176.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.23 95.27 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.456 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.0 141.83 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -96.46 -42.36 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -142.83 148.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.86 115.51 4.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.769 ' HB3' HG11 ' B' ' 43' ' ' VAL . 54.1 Cg_endo -69.72 79.25 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.272 . . . . 0.0 112.384 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -110.85 -53.68 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.57 136.36 52.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.6 48.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.22 68.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 42' ' ' PRO . 3.1 tp60 -81.27 113.53 42.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.79 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' B' ' 36' ' ' PRO . 29.1 m -85.84 126.79 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -93.68 111.14 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 8' ' ' ILE . 18.9 mt -114.62 112.52 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.688 HD12 HG23 ' B' ' 5' ' ' ILE . 6.8 mp -85.1 106.53 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' B' ' 30' ' ' PHE . 22.3 pt -114.77 152.44 46.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.697 0.761 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.68 48.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 10.7 t -66.51 -13.84 61.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.29 4.76 52.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.94 11.66 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' B' ' 49' ' ' SER . 80.7 t -71.9 -52.66 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -54.98 -38.74 68.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -63.49 -52.65 60.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.509 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -65.76 -28.78 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.76 -55.27 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.62 -33.18 75.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -53.39 46.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 8' ' ' ILE . 33.6 mt -67.79 -34.55 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -68.92 -34.66 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.39 -37.6 67.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -19.63 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.02 22.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.402 HD12 HD23 ' B' ' 59' ' ' LEU . 3.8 mt -81.74 130.29 61.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 97.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.726 2.284 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -116.39 175.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -145.5 117.92 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 19.0 t -90.79 117.32 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 5' ' ' ILE . 94.4 m-85 -110.69 156.74 20.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -150.05 144.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -51.63 114.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.632 ' HB2' HG22 ' A' ' 70' ' ' VAL . 11.3 tp10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -68.6 87.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.88 158.43 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.82 HG21 HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -102.94 105.65 16.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' B' ' 69' ' ' TYR . 73.7 mt -87.88 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.3 m-85 -124.47 110.78 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.043 HG22 HG12 ' A' ' 44' ' ' VAL . 11.1 t -100.21 109.6 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.874 HG21 HD21 ' A' ' 19' ' ' LEU . 5.7 mt -104.98 140.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 11.1 t -127.41 93.93 39.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 145.06 56.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -127.18 24.81 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -174.83 164.52 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.02 -37.68 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.81 -47.87 83.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.57 -50.37 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.78 -54.13 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.85 -41.1 97.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 8' ' ' ILE . 81.0 mt -69.71 -50.88 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -65.17 -25.6 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -51.08 14.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -31.08 72.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.16 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -54.56 102.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -74.31 -16.27 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.74 -22.1 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.61 -46.41 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 65.35 31.02 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.21 -175.56 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.71 95.08 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.453 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 57.0 m95 -81.01 144.14 32.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -102.21 -45.75 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -127.51 140.87 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.701 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.71 77.11 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -117.73 -23.27 7.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -97.72 126.75 39.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 126.18 13.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.96 10.28 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -96.86 134.12 23.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 36' ' ' PRO . 86.8 t -89.0 114.32 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 7' ' ' VAL . 20.3 m -95.73 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CD1' HD12 ' A' ' 8' ' ' ILE . 3.6 mt -129.84 119.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.98 98.69 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.719 HG22 ' CG ' ' A' ' 30' ' ' PHE . 12.6 pt -118.64 150.99 49.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.92 62.07 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -64.22 -15.56 60.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.41 7.59 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.4 mmm -131.66 5.81 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 4' ' ' THR . 27.7 m -70.58 -38.53 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -63.43 -52.04 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 ' HE3' ' A' ' 60' ' ' LYS . 12.8 mt -66.72 -54.62 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.23 -31.78 72.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -53.0 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 HD12 ' A' ' 64' ' ' ILE . 22.9 mt -67.3 -33.45 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HE3' HD22 ' A' ' 56' ' ' LEU . 66.0 mttt -70.94 -34.94 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.24 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -97.86 -21.58 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.59 35.34 13.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.486 HD12 HD23 ' A' ' 59' ' ' LEU . 4.1 mt -83.07 130.12 58.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.79 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -120.18 175.29 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 m -150.31 117.99 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 8.4 t -84.65 122.66 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -110.9 147.56 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.49 137.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.05 138.86 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -149.52 110.44 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -97.94 160.24 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.559 HG21 HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -110.64 112.3 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mt -98.02 115.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.437 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.8 m-85 -102.07 117.31 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.626 HG12 HG22 ' B' ' 44' ' ' VAL . 3.7 m -111.21 109.81 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.729 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.7 mp -102.02 143.61 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 11.2 t -128.06 101.65 22.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.432 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.6 Cg_endo -69.69 141.52 45.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -119.32 17.84 13.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.403 ' ND2' ' H ' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -179.48 173.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.84 -37.83 74.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.34 -50.9 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.403 ' H ' ' ND2' ' B' ' 12' ' ' ASN . 1.5 mt-30 -63.64 -51.52 64.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' B' ' 10' ' ' PRO . 78.6 t -55.9 -54.42 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.18 -39.7 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -63.41 -42.86 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.729 HD21 ' CG2' ' B' ' 8' ' ' ILE . 3.9 mp -69.38 -51.33 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 19.7 pt-20 -63.28 -26.03 68.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.41 -49.4 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -63.54 -30.41 71.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.63 -33.15 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -63.83 -24.25 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.54 93.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.87 -20.23 65.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -63.43 -19.02 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.95 -46.09 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 64.85 32.33 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.674 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.1 m-30 -78.51 -177.13 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -124.32 95.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 69.6 m95 -79.95 143.04 34.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -98.57 -43.37 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -138.76 149.25 61.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.8 Cg_endo -69.71 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.346 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.431 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.7 Cg_endo -69.78 78.46 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -119.03 -38.77 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -84.7 122.87 74.76 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 132.81 24.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.58 0.67 72.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -92.41 134.5 28.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.431 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.8 t -86.14 119.94 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.626 HG22 HG12 ' B' ' 7' ' ' VAL . 43.2 t -93.39 140.35 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.1 mt -144.72 112.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.53 107.14 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.674 HG22 ' CG ' ' B' ' 30' ' ' PHE . 25.1 pt -118.22 152.25 50.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.611 0.719 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.35 57.25 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.481 ' HA ' HG23 ' B' ' 52' ' ' VAL . 1.8 t -65.82 -14.56 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.22 5.41 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 87.5 mmm -131.5 10.85 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 4' ' ' THR . 92.7 t -71.78 -53.13 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.47 -38.85 60.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.15 -52.73 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -28.89 69.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 56' ' ' LEU . 18.9 mt -66.42 -55.01 17.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.75 -29.49 67.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -53.36 27.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' B' ' 66' ' ' PHE . 28.2 mt -67.74 -39.61 84.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.09 -34.81 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.77 74.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -86.55 -21.95 26.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.29 42.06 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.3 mt -93.07 132.15 31.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.39 2.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.47 ' CG ' HD13 ' B' ' 59' ' ' LEU . 30.6 p90 -133.95 174.99 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.519 ' O ' HG22 ' B' ' 7' ' ' VAL . 0.8 OUTLIER -151.13 127.3 10.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' B' ' 4' ' ' THR . 4.1 p -101.0 123.36 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 54.5 m-85 -106.6 150.54 26.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.32 126.36 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -50.61 113.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.43 99.13 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -97.85 148.57 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -113.74 123.79 50.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 ' CE2' ' B' ' 69' ' ' TYR . 13.5 mt -108.42 115.64 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 47' ' ' ILE . 2.1 m-85 -100.05 115.13 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 44' ' ' VAL . 3.6 m -108.52 109.7 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.974 HG21 HD21 ' A' ' 19' ' ' LEU . 2.5 mp -103.87 142.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 9.6 t -128.23 100.52 23.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.85 143.8 51.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -124.09 20.47 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -179.57 165.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.18 -32.36 47.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.33 -53.56 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.41 -44.4 96.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 39' ' ' PRO . 67.3 t -62.43 -54.09 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.12 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.66 -44.66 81.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.974 HD21 HG21 ' A' ' 8' ' ' ILE . 86.4 mt -66.26 -48.04 71.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.1 -28.49 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.52 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.7 -31.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -66.6 -26.24 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.44 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.91 -16.35 61.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -69.92 -14.41 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.16 -46.02 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.2 32.27 12.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.27 -175.17 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.99 95.88 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 60.8 m95 -78.14 134.92 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -88.97 -39.53 13.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -137.54 152.36 72.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 117.99 5.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 76.58 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.227 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.28 -34.97 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.61 112.64 45.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.77 131.41 21.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -2.9 67.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.13 143.74 26.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.32 114.63 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 7' ' ' VAL . 41.3 t -93.7 140.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 26.8 mt -144.74 112.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 107.44 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.679 HG22 ' CG ' ' A' ' 30' ' ' PHE . 32.6 pt -121.08 152.11 56.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.13 64.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 4.6 m -64.24 -15.95 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.68 7.49 33.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.3 mmm -134.68 7.66 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 4' ' ' THR . 29.9 m -72.31 -38.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -65.35 -36.74 84.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -63.8 -35.7 81.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -65.17 -52.87 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.37 -27.97 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -50.39 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 64' ' ' ILE . 12.7 mt -69.29 -30.21 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -70.26 -34.79 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.08 -35.24 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -96.47 -19.25 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.35 46.08 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 59' ' ' LEU . 19.1 mt -92.99 132.61 30.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.651 0.739 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 104.53 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HZ ' HD23 ' A' ' 56' ' ' LEU . 25.9 p90 -131.86 175.31 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -151.56 136.01 16.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 4' ' ' THR . 3.6 p -108.39 137.26 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.63 153.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.3 m -133.16 141.47 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.85 106.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 62.74 44.14 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.02 172.23 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -108.05 114.86 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 mt -97.13 115.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.662 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -102.84 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.81 109.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.641 HG21 HD21 ' B' ' 19' ' ' LEU . 3.7 mp -104.25 144.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.61 99.56 23.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.702 0.763 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.23 42.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.698 2.266 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -125.28 23.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -175.61 161.03 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.73 -33.4 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.71 -48.69 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.48 -47.14 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.69 -54.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.44 75.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -70.09 -47.23 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.641 HD21 HG21 ' B' ' 8' ' ' ILE . 82.6 mt -63.93 -44.76 91.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -69.06 -32.79 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.41 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -66.98 -30.57 70.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.34 -32.35 64.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -65.01 -23.27 67.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -63.3 93.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -67.17 -20.9 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.55 -22.99 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.69 -45.88 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.3 t30 64.92 32.4 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.709 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.4 m-30 -78.43 -178.0 5.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.55 95.65 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 68.5 m95 -80.85 139.72 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.418 ' HG3' HG21 ' A' ' 44' ' ' VAL . 24.5 mm100 -96.58 -43.47 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -136.48 147.54 60.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 116.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.414 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.6 Cg_endo -69.8 78.02 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -34.55 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -87.67 124.08 68.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.05 16.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.12 5.42 63.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -95.79 134.55 23.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 100.25 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' B' ' 36' ' ' PRO . 40.6 t -85.85 117.19 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.96 133.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 49.6 mt -137.78 112.57 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.62 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.709 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.7 pt -109.78 152.29 42.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 158.29 57.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.441 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.96 -14.52 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -92.8 9.71 34.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 89.1 mmm -136.7 8.91 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.662 HG13 ' CE1' ' B' ' 6' ' ' PHE . 90.9 t -72.4 -49.78 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.03 -35.72 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -67.3 -52.65 37.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.435 ' HD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.36 -32.71 74.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 7.3 tp -68.09 -47.06 69.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.49 -40.85 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' B' ' 55' ' ' PHE . 2.4 ppp? -67.21 -31.22 71.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 66' ' ' PHE . 16.5 mt -76.52 -43.28 40.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -64.98 -38.49 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.69 -46.49 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.424 ' HB2' HG13 ' B' ' 64' ' ' ILE . 21.5 mmmt -85.25 -13.13 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 51.03 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 62' ' ' LYS . 11.1 mt -103.12 131.6 21.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.2 3.63 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.683 ' CD2' HD13 ' B' ' 59' ' ' LEU . 31.3 p90 -134.14 175.23 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -144.12 114.46 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' B' ' 6' ' ' PHE . 16.6 t -88.53 114.39 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 5' ' ' ILE . 98.5 m-85 -105.97 136.86 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.07 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.57 123.08 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.61 99.79 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -100.6 163.83 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.52 119.67 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 mt -108.32 115.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.667 ' HE1' HG23 ' A' ' 52' ' ' VAL . 4.2 m-85 -103.77 109.94 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -101.66 109.83 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.881 HG21 HD21 ' A' ' 19' ' ' LEU . 3.6 mt -105.81 141.64 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 7.5 t -128.6 100.31 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.76 142.02 46.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -121.88 18.4 10.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -174.88 172.23 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.26 -34.61 73.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.94 -50.49 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.87 -47.61 77.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 10' ' ' PRO . 62.5 t -59.7 -54.43 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.66 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -47.55 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 8' ' ' ILE . 79.0 mt -63.18 -49.13 75.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -67.11 -25.89 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -50.18 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -30.84 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.26 -28.92 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -68.06 -25.0 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -60.56 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.15 -19.01 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -65.63 -21.23 66.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -71.48 -47.08 57.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.0 t30 64.2 32.64 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.706 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.1 m-30 -77.68 -175.36 3.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.07 95.78 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.6 m95 -79.71 133.4 36.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -87.53 -35.15 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.19 150.64 45.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 75.21 1.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -124.25 -32.99 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -86.41 114.56 58.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 127.64 14.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.66 6.09 61.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -102.6 145.46 30.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.69 3.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.95 111.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 t -93.89 134.61 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HD12 ' A' ' 8' ' ' ILE . 41.2 mt -134.74 112.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.35 109.22 14.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.706 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.8 pt -124.13 152.12 66.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.166 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.73 52.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.621 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -66.67 -13.58 61.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -85.82 -7.1 58.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.3 mmm -122.59 7.05 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.667 HG23 ' HE1' ' A' ' 6' ' ' PHE . 7.6 p -65.66 -42.87 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 52' ' ' VAL . 25.2 mt-10 -67.39 -35.81 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.87 -52.2 57.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.73 -45.27 83.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 66' ' ' PHE . 10.8 tp -54.18 -52.48 61.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.9 -32.29 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.17 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 8' ' ' ILE . 18.8 mt -68.72 -36.32 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -65.62 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.3 -38.68 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -89.51 -24.04 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.85 34.72 8.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 59' ' ' LEU . 5.1 mt -84.41 131.64 49.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.42 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.3 p90 -137.26 172.66 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -141.62 133.03 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.447 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 26.2 t -97.44 114.44 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HE2' HG11 ' A' ' 7' ' ' VAL . 81.0 m-85 -107.97 143.92 35.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' B' ' 72' ' ' GLU . 10.5 p -139.19 152.01 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.63 114.93 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m 57.59 44.08 21.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -99.01 175.09 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.29 122.87 47.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mt -110.4 115.69 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.677 ' HE1' HG23 ' B' ' 52' ' ' VAL . 4.0 m-85 -99.3 116.75 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 t -107.91 109.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.763 ' CG2' HD21 ' B' ' 19' ' ' LEU . 5.1 mt -104.0 140.03 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 10.4 t -128.53 96.38 30.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.7 Cg_endo -69.78 146.32 59.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -128.98 23.94 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -174.92 162.95 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.34 -36.58 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.42 -49.69 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -62.89 -49.51 74.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 39' ' ' PRO . 72.9 t -59.28 -50.53 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.43 -40.56 78.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -64.07 -44.71 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.763 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.9 mp -66.47 -51.32 58.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 22.1 pt-20 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.95 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -31.21 71.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.14 -28.01 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -69.43 -24.06 63.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.33 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.4 -19.31 63.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.02 -21.96 66.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.31 -46.83 59.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 64.48 32.71 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.695 ' CG ' HG22 ' B' ' 47' ' ' ILE . 19.3 m-30 -78.89 -175.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -127.3 95.85 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.512 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 60.5 m95 -78.52 131.77 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -83.7 -37.63 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.38 153.09 62.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 118.74 5.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 76.13 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -126.91 -34.47 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -86.88 112.28 46.15 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.519 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.75 132.09 22.62 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.754 2.303 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 -3.09 68.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -95.51 144.93 28.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.9 112.4 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.5 t -93.96 139.3 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.512 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 31.2 mt -142.15 114.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.85 107.57 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.695 HG22 ' CG ' ' B' ' 30' ' ' PHE . 41.4 pt -119.69 152.33 53.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.07 54.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.645 ' O ' HG12 ' B' ' 52' ' ' VAL . 6.3 t -66.35 -14.18 61.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.8 -6.28 59.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.0 mmm -124.96 7.18 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.677 HG23 ' HE1' ' B' ' 6' ' ' PHE . 7.4 p -65.6 -43.77 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.444 ' N ' HG13 ' B' ' 52' ' ' VAL . 24.4 mt-10 -67.96 -37.08 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.27 -52.4 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.23 -46.82 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 66' ' ' PHE . 9.9 tp -52.29 -53.92 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.14 -36.49 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -53.06 60.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' B' ' 66' ' ' PHE . 71.7 mt -64.82 -36.92 85.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.29 -34.95 78.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.24 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -93.21 -24.58 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.76 10.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.02 131.21 63.83 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.659 0.742 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' B' ' 56' ' ' LEU . 31.4 p90 -123.23 175.38 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -150.32 115.46 5.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.0 p -92.14 121.06 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -105.54 150.71 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.32 146.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.86 106.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 70' ' ' VAL . 19.1 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -157.13 100.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -98.03 170.3 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.73 HG21 HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -114.47 115.74 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 HD12 ' CD2' ' B' ' 69' ' ' TYR . 59.7 mt -99.1 130.74 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 2.7 m-85 -116.3 118.9 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -111.38 119.75 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.767 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -112.52 143.14 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.49 98.34 25.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.4 Cg_endo -69.81 143.35 50.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -119.4 19.07 12.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -179.95 171.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.79 -32.31 69.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.94 -56.21 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -62.46 -47.96 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 10' ' ' PRO . 72.7 t -56.73 -52.3 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.19 79.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.01 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD21 ' CG2' ' A' ' 8' ' ' ILE . 3.1 mp -68.26 -51.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.98 -25.43 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.65 -49.93 19.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -30.62 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.08 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.2 -22.57 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.53 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.22 -19.57 63.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.4 -22.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -71.06 -46.44 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.52 32.44 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.6 m-30 -77.85 -175.66 4.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.17 95.66 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 73.8 m95 -79.21 142.53 36.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -97.39 -36.94 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -149.32 146.16 20.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.75 112.57 3.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.375 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.4 Cg_endo -69.76 78.54 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -109.57 -43.96 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.23 135.38 41.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.9 49.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.91 -5.81 77.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -84.63 122.02 74.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 102.78 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.262 . . . . 0.0 112.392 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG21 ' HZ3' ' A' ' 32' ' ' TRP . 7.2 p -85.85 121.85 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 7' ' ' VAL . 48.8 t -93.77 131.64 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.584 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 25.6 mt -133.74 113.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 101.98 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.671 HG22 ' CG ' ' A' ' 30' ' ' PHE . 25.3 pt -113.5 152.39 45.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 52' ' ' VAL . 37.3 t -66.65 -13.38 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.6 4.72 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.3 mmm -131.84 11.52 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.73 HG21 HG21 ' A' ' 4' ' ' THR . 83.8 t -72.0 -53.72 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.02 -37.39 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -63.38 -53.08 58.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -65.2 -37.42 87.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.0 tp -58.74 -55.19 38.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -65.42 -34.29 77.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 ttt -62.65 -53.38 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 66' ' ' PHE . 83.3 mt -67.07 -41.42 86.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -62.55 -34.9 77.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.43 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -13.8 43.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.5 36.17 34.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.07 131.34 51.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.696 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.7 p90 -128.73 174.7 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.2 m -145.92 138.15 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 18.2 t -102.01 142.09 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.85 154.06 50.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.69 136.13 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 107.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.6 42.03 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -100.93 172.04 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 118.91 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 mt -105.01 126.77 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' B' ' 52' ' ' VAL . 3.8 m-85 -111.63 121.27 44.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.646 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -111.11 109.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.541 HG21 HD21 ' B' ' 19' ' ' LEU . 2.4 mp -104.89 140.5 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.4 93.16 39.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.5 Cg_endo -69.82 150.43 67.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.295 . . . . 0.0 112.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.4 p -129.0 18.87 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -166.91 159.29 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -56.57 -32.25 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.81 -56.54 20.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.42 -45.32 91.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' B' ' 10' ' ' PRO . 60.6 t -58.06 -47.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -65.63 -41.12 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.541 HD21 HG21 ' B' ' 8' ' ' ILE . 81.7 mt -69.76 -50.98 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.47 -28.9 70.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 -48.82 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -64.15 -30.78 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.511 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.99 -27.76 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -68.66 -18.79 64.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 106.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -18.54 60.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.96 -22.86 65.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.37 -46.2 60.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 65.06 31.94 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.746 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.8 m-30 -80.45 -175.4 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.96 95.36 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.519 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 35.7 m95 -80.31 142.96 34.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' VAL . 62.7 mm-40 -90.19 -39.0 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.47 148.08 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.96 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.679 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.7 76.89 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.41 -37.27 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.94 125.56 62.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.75 7.34 60.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -97.47 135.92 21.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.685 2.256 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.679 HG21 ' HB3' ' B' ' 36' ' ' PRO . 73.7 t -86.67 112.8 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.646 HG22 HG12 ' B' ' 7' ' ' VAL . 59.1 t -93.81 135.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.519 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.4 mt -136.14 141.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.436 HD23 HE21 ' B' ' 33' ' ' GLN . 3.3 mm? -107.37 102.71 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' B' ' 30' ' ' PHE . 17.5 pt -118.93 151.69 50.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 161.55 45.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.558 ' O ' HG12 ' B' ' 52' ' ' VAL . 43.2 t -67.28 -12.82 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -87.57 -6.21 58.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.6 mmm -121.95 6.67 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.747 HG22 HD12 ' B' ' 56' ' ' LEU . 7.2 p -67.46 -41.43 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 52' ' ' VAL . 15.3 mt-10 -67.86 -38.66 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -62.52 -52.31 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -38.96 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.8 -54.36 47.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.53 -31.37 71.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -53.08 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 66' ' ' PHE . 58.2 mt -66.23 -40.02 89.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -65.92 -34.71 78.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.47 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -23.42 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.59 42.51 6.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.0 131.74 26.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.21 2.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.532 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 28.5 p90 -136.16 174.98 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.7 140.08 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 16.0 t -102.3 137.12 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 5' ' ' ILE . 57.2 m-85 -124.73 140.65 52.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.51 134.82 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -51.91 105.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.25 42.74 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -97.65 174.76 6.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.883 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -105.2 104.66 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.7 mt -85.87 141.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.95 116.24 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 44' ' ' VAL . 4.1 t -104.04 110.11 29.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.75 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.4 mp -110.23 127.27 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 t -112.54 99.91 48.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.727 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 139.37 40.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -125.63 24.14 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -174.86 163.72 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -56.29 -40.86 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.97 -47.67 82.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.79 -51.01 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.91 -54.64 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.58 -38.48 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.98 -44.78 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.3 mp -67.13 -51.18 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 20.8 pt-20 -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.54 -50.41 18.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -30.58 71.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.7 -28.7 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -69.91 -23.67 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.46 101.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -74.18 -16.7 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.52 -23.45 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -70.77 -45.96 63.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t30 65.75 27.84 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.648 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.0 m-30 -71.74 -175.21 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -129.97 95.68 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 54.6 m95 -82.04 152.98 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' CG ' HG23 ' A' ' 44' ' ' VAL . 43.9 mm-40 -114.31 -43.48 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -128.22 139.37 35.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.9 Cg_endo -69.75 114.53 3.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.369 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.667 ' HB3' HG21 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.73 76.05 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -117.84 -23.77 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.86 125.89 34.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 135.64 30.92 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 -7.42 77.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -87.94 134.01 36.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 106.56 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG21 ' HB3' ' A' ' 36' ' ' PRO . 97.8 t -94.08 111.9 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.849 HG12 HG22 ' A' ' 7' ' ' VAL . 11.1 m -93.88 137.79 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 47' ' ' ILE . 24.9 mt -135.16 113.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.48 96.62 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' PHE . 16.7 pt -115.14 152.24 46.5 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.38 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.19 -16.98 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -88.75 8.25 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mmm -133.26 5.86 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 4' ' ' THR . 27.2 m -72.62 -37.7 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.83 -42.7 98.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -63.27 -51.8 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -29.21 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -55.41 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.53 -28.51 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -53.14 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 64' ' ' ILE . 46.8 mt -70.78 -31.19 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.56 -34.96 74.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.66 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -92.78 -24.7 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.57 35.06 9.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 HD23 ' A' ' 59' ' ' LEU . 25.2 mt -79.96 131.41 63.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.92 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -133.3 174.98 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.4 m -154.42 115.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 4' ' ' THR . 5.6 p -83.54 128.66 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -110.95 142.51 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.35 139.82 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.36 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' HB3' HG22 ' B' ' 70' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -143.39 106.23 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.449 ' HG2' HD23 ' B' ' 46' ' ' LEU . 5.5 tppt? -97.85 142.98 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.595 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.3 OUTLIER -104.05 109.41 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -92.48 115.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.626 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.3 m-85 -104.45 116.05 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.535 HG12 HG22 ' B' ' 44' ' ' VAL . 4.2 m -109.93 122.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.755 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.6 mp -114.17 144.97 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 16.7 t -128.53 98.03 26.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.461 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 141.29 44.69 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.6 p -120.51 21.45 11.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -179.07 167.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -57.1 -33.8 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.43 -54.49 46.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.33 -47.83 80.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' B' ' 10' ' ' PRO . 77.1 t -57.49 -44.99 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.07 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.58 -41.98 98.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.755 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.5 mp -69.36 -51.23 38.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -63.94 -25.85 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.77 -49.88 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -62.2 -30.45 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.66 -33.35 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -24.26 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.42 94.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -68.92 -20.13 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.86 -24.03 67.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.76 -45.86 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 64.28 31.82 12.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.639 ' CG ' HG22 ' B' ' 47' ' ' ILE . 16.6 m-85 -75.41 -175.85 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.42 95.68 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.8 m95 -80.73 145.04 31.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' B' ' 46' ' ' LEU . 61.3 mm-40 -100.86 -37.66 8.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -147.89 145.47 21.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.7 Cg_endo -69.78 112.3 3.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.3 Cg_endo -69.78 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 93.0 m -114.6 -46.39 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -83.02 135.54 44.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 143.21 50.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.26 . . . . 0.0 112.387 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.52 75.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.454 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -84.47 121.55 75.03 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 103.22 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.44 ' O ' HG13 ' B' ' 43' ' ' VAL . 7.1 p -85.66 122.53 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.535 HG22 HG12 ' B' ' 7' ' ' VAL . 21.1 t -93.77 131.75 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 36.1 mt -133.66 112.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' B' ' 33' ' ' GLN . 3.4 mp -83.86 100.49 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' B' ' 30' ' ' PHE . 22.6 pt -111.41 152.24 43.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.71 52.36 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HA ' HG23 ' B' ' 52' ' ' VAL . 49.9 m -65.57 -14.37 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -92.76 8.31 39.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.3 mmm -135.3 9.89 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.626 HG13 ' CE1' ' B' ' 6' ' ' PHE . 94.1 t -72.2 -49.95 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.64 -38.35 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -66.0 -52.58 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.5 -37.6 86.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' B' ' 66' ' ' PHE . 6.8 tp -62.68 -55.77 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.73 -29.75 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -53.34 22.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.73 -38.93 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.89 -34.71 77.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.92 -39.94 69.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -89.85 -24.3 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.63 39.92 6.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.2 mt -91.8 132.47 32.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' B' ' 56' ' ' LEU . 28.0 p90 -135.92 175.16 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.402 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.9 m -144.4 136.98 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.439 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 18.4 t -102.63 141.99 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.33 149.46 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 72' ' ' GLU . 15.6 m -147.34 126.11 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.61 107.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p 57.57 28.73 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -97.51 149.75 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -111.52 121.78 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.0 mt -108.82 115.88 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' HE1' HG23 ' A' ' 52' ' ' VAL . 6.2 m-85 -102.87 115.79 31.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -109.25 109.4 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 ' CG2' HD21 ' A' ' 19' ' ' LEU . 3.0 mt -102.22 142.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.7 t -128.88 99.86 21.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HB2' HG23 ' A' ' 16' ' ' VAL . 54.0 Cg_endo -69.72 138.36 37.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -117.57 16.55 14.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -175.39 171.8 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.11 -37.89 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.63 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -61.55 -50.84 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 10' ' ' PRO . 67.8 t -55.44 -53.86 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -55.37 -39.79 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.12 -45.75 90.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.2 mp -65.81 -51.52 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.4 pt-20 -63.98 -25.72 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 -49.59 27.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.12 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -55.2 -27.73 47.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -69.63 -28.8 66.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.57 101.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.06 -16.16 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.9 -19.83 64.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.15 -45.83 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 m120 59.17 35.46 23.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CD1' HG22 ' A' ' 47' ' ' ILE . 14.6 m-85 -76.81 -175.68 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -123.76 95.63 4.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 62.1 m95 -79.77 141.56 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -95.78 -31.79 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -148.68 151.28 35.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.95 5.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.04 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -127.51 -37.06 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -85.69 117.87 69.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 133.23 25.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.31 -3.85 69.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -91.44 136.7 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.516 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 55.1 t -85.9 115.14 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.91 HG22 HG12 ' A' ' 7' ' ' VAL . 95.4 t -94.23 140.62 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.476 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.4 mt -144.14 113.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.77 110.81 18.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CD1' ' A' ' 30' ' ' PHE . 17.9 pt -123.64 152.15 64.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.83 44.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 52' ' ' VAL . 4.8 t -65.95 -14.62 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -83.91 -5.66 59.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.4 mmm -126.35 9.33 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -69.76 -41.56 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 52' ' ' VAL . 16.2 mt-10 -69.79 -36.52 75.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -64.58 -52.3 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -48.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CE1' ' A' ' 66' ' ' PHE . 6.3 tp -52.2 -54.23 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.54 -34.08 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.1 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 64' ' ' ILE . 21.0 mt -67.47 -36.9 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -65.74 -34.54 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.52 79.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -87.22 -28.04 22.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.42 33.54 7.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -85.25 131.88 46.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.655 ' CE1' HD12 ' A' ' 56' ' ' LEU . 27.0 p90 -131.95 175.22 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.3 m -148.52 126.25 11.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 4' ' ' THR . 3.2 p -101.05 118.06 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.0 150.1 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.38 130.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -52.09 112.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -58.89 99.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.15 171.05 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.481 HG22 ' CG2' ' B' ' 68' ' ' VAL . 0.2 OUTLIER -130.29 103.64 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -95.38 115.98 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.661 ' HE1' HG23 ' B' ' 52' ' ' VAL . 2.7 m-85 -98.48 118.86 36.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 110.05 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.595 ' CG2' HD21 ' B' ' 19' ' ' LEU . 3.5 mt -106.68 142.29 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 7.3 t -128.52 102.54 20.31 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.9 Cg_endo -69.76 138.62 38.28 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -121.69 22.96 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 179.61 167.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.62 -38.72 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -56.76 -55.14 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.41 ' HG3' HD13 ' B' ' 64' ' ' ILE . 0.1 OUTLIER -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' B' ' 39' ' ' PRO . 53.2 t -54.99 -54.39 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -56.42 -38.23 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.8 mp -69.91 -51.19 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 20.2 pt-20 -63.28 -26.4 68.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.01 -49.92 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.46 -30.85 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.463 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.98 -29.92 63.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.43 -24.07 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.67 95.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -68.94 -19.87 64.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.46 -22.44 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.25 -46.3 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 65.3 31.88 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.703 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.6 m-30 -79.26 173.94 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.38 95.82 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 63.1 m95 -78.05 142.67 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -96.63 -42.84 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -137.66 149.81 66.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.8 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 35' ' ' PRO . 53.5 Cg_endo -69.82 72.23 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -120.42 -24.21 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -97.08 112.16 59.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.7 Cg_endo -69.76 133.01 24.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.78 65.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -102.04 146.87 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.66 116.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 139.56 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.515 HD12 HD12 ' B' ' 8' ' ' ILE . 33.5 mt -143.65 112.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.37 111.73 18.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.703 HG22 ' CG ' ' B' ' 30' ' ' PHE . 33.5 pt -125.62 152.12 71.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.12 54.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.622 ' O ' HG12 ' B' ' 52' ' ' VAL . 1.3 t -66.51 -14.02 61.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.21 -5.62 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 93.1 mmm -123.26 7.09 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.695 HG22 HD12 ' B' ' 56' ' ' LEU . 7.7 p -67.39 -42.46 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 52' ' ' VAL . 20.0 mt-10 -67.91 -37.13 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.71 -52.43 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.695 HD12 HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -56.6 -54.7 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -68.07 -30.62 69.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -53.13 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.435 HD23 HD12 ' B' ' 64' ' ' ILE . 37.5 mt -69.75 -32.48 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -66.5 -34.86 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.401 ' HB2' HG13 ' B' ' 64' ' ' ILE . 9.4 mmtt -90.37 -23.63 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.87 37.03 8.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.435 HD12 HD23 ' B' ' 59' ' ' LEU . 24.2 mt -83.9 132.1 49.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.673 0.749 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 104.06 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -126.34 175.16 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 4.7 m -154.95 114.58 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' B' ' 4' ' ' THR . 5.8 p -89.41 136.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -121.22 138.44 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.97 135.95 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.82 154.83 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -144.34 99.03 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -98.85 170.2 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.87 118.46 31.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.62 126.24 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 52' ' ' VAL . 5.3 m-85 -109.76 118.87 37.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.753 HG12 HG22 ' A' ' 44' ' ' VAL . 4.1 m -110.14 109.88 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.758 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.8 mt -104.53 142.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 12.1 t -128.24 95.8 32.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.76 142.68 48.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -125.37 22.68 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -174.68 164.19 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -56.62 -33.13 65.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -61.2 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.92 -47.73 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.5 t -59.79 -47.52 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.6 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -65.07 -46.37 81.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.5 mp -65.61 -50.06 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -64.57 -27.01 68.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.17 25.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.84 70.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.75 -27.42 40.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -70.24 -27.52 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.9 100.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -73.84 -16.47 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.32 -21.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.29 -47.13 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t30 64.23 32.8 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.66 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.3 m-85 -78.26 -175.48 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -126.38 96.01 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.466 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 67.2 m95 -80.09 139.99 36.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.51 -36.42 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.69 150.02 45.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.77 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.748 2.299 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.7 Cg_endo -69.73 78.68 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -125.76 -36.81 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.82 119.92 72.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.38 23.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.95 -0.15 66.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -94.81 135.34 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 59.6 t -85.77 116.08 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.753 HG22 HG12 ' A' ' 7' ' ' VAL . 54.7 t -93.68 140.51 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.451 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 29.8 mt -143.39 112.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -83.76 104.21 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 ' CG ' ' A' ' 30' ' ' PHE . 19.4 pt -118.42 152.15 50.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.7 m -66.28 -14.14 61.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.01 -6.66 59.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.7 mmm -125.76 8.52 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 49' ' ' SER . 7.2 p -67.18 -40.73 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 20.9 mt-10 -70.11 -36.5 74.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -64.8 -52.5 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -47.16 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 66' ' ' PHE . 4.1 tp -53.86 -55.09 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.18 -33.42 75.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -42.9 95.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.16 -37.88 63.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -65.81 -34.64 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -45.93 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -83.51 -21.27 32.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.28 41.31 7.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.55 132.81 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 56' ' ' LEU . 25.9 p90 -134.38 175.09 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 m -147.44 139.35 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 21.6 t -102.31 139.5 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' B' ' 5' ' ' ILE . 75.1 m-85 -128.86 156.21 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.54 154.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.67 117.59 2.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.7 ' HB2' HG22 ' B' ' 70' ' ' VAL . 35.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -159.38 85.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.42 175.14 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.602 HG21 ' CG2' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -119.98 104.13 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 69' ' ' TYR . 63.1 mt -86.93 115.87 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' B' ' 52' ' ' VAL . 0.9 OUTLIER -104.55 117.89 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.454 HG12 ' O ' ' B' ' 67' ' ' THR . 8.9 p -109.06 132.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.736 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -133.71 123.46 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.8 p -114.53 104.26 54.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 151.5 69.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -129.18 22.45 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -174.86 163.85 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.53 -37.68 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.69 -53.16 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.81 -47.31 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' B' ' 39' ' ' PRO . 57.9 t -59.43 -52.03 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.16 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.408 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.6 t80 -69.57 -48.15 61.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.736 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.2 mp -63.14 -45.51 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -68.45 -32.48 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.69 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.7 OUTLIER -68.39 -31.29 70.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.31 -28.07 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.22 100.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -74.01 -16.94 61.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.69 -21.26 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 64.8 mt -70.82 -46.6 62.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 65.48 31.9 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.738 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.1 m-30 -79.84 -175.94 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.09 95.7 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 59.8 m95 -78.27 134.01 37.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -88.07 -38.03 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.659 ' OD1' HG13 ' B' ' 43' ' ' VAL . 1.9 p30 -139.75 153.48 70.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 70.93 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.416 HG22 ' O ' ' B' ' 37' ' ' THR . 6.3 m -129.46 -1.43 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 14.8 mm-40 -113.78 110.13 49.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' B' ' 16' ' ' VAL . 53.1 Cg_endo -69.82 137.65 35.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.32 -13.65 66.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.68 127.64 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.659 HG13 ' OD1' ' B' ' 34' ' ' ASN . 97.9 t -85.61 131.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 t -92.72 130.11 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.447 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 43.6 mt -135.61 112.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.09 103.31 10.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.738 HG22 ' CG ' ' B' ' 30' ' ' PHE . 29.1 pt -115.97 151.99 47.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 158.04 58.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.469 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -66.02 -14.05 60.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.76 2.44 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.1 mmm -128.07 11.53 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.602 ' CG2' HG21 ' B' ' 4' ' ' THR . 76.4 t -72.65 -54.9 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.31 -43.0 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -58.78 -53.06 62.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -28.81 69.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.32 -55.29 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.8 -30.89 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.89 -52.98 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.75 -36.92 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -68.65 -34.8 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.8 64.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -95.07 -26.49 16.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.9 39.2 5.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.11 133.14 30.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.66 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -132.99 175.54 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.454 ' O ' HG12 ' B' ' 7' ' ' VAL . 0.2 OUTLIER -152.95 135.27 15.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.593 HG23 HG22 ' B' ' 4' ' ' THR . 3.8 p -106.98 117.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -104.03 146.16 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.7 HG22 ' HB2' ' A' ' 72' ' ' GLU . 18.9 m -132.05 138.6 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -51.79 113.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 p -84.38 101.78 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG2' HD23 ' A' ' 46' ' ' LEU . 16.5 tppt? -97.75 147.06 24.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -103.46 115.52 30.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.4 mt -98.53 115.73 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 52' ' ' VAL . 1.9 m-85 -104.49 115.83 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.823 HG12 HG22 ' A' ' 44' ' ' VAL . 3.4 m -108.57 123.75 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.913 HG21 HD21 ' A' ' 19' ' ' LEU . 2.6 mp -115.11 141.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 42' ' ' PRO . 18.6 t -128.38 93.55 38.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 54.1 Cg_endo -69.78 145.43 57.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 p -128.42 25.55 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.99 163.67 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.12 -34.77 66.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.46 -48.2 80.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.63 -47.78 77.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.04 -54.23 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -54.86 -42.12 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -64.24 -46.83 82.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 8' ' ' ILE . 55.9 mt -63.49 -49.56 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -66.56 -25.82 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 -49.21 42.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -30.63 70.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.71 -29.36 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -68.17 -26.25 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.48 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.37 -17.48 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.69 -16.67 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.27 -46.29 28.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.9 32.69 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.6 m-30 -77.95 -175.87 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.22 95.89 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 67.3 m95 -79.98 138.21 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -92.43 -35.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -146.3 151.35 43.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 m -126.51 -37.23 2.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -84.19 118.52 71.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.62 19.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 0.87 65.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.557 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -94.69 134.9 24.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.77 97.25 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -85.77 117.67 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 7' ' ' VAL . 58.0 t -93.98 140.87 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 32.2 mt -142.93 112.69 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 3' ' ' LYS . 3.2 mp -82.19 102.19 10.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.74 HG22 ' CG ' ' A' ' 30' ' ' PHE . 8.0 pt -112.71 152.96 45.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 111.156 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.75 59.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -65.92 -13.95 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.55 5.23 50.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 90.2 mmm -132.29 11.56 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.562 ' CG2' HG21 ' A' ' 4' ' ' THR . 81.8 t -72.27 -51.41 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -54.21 -38.62 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -66.07 -52.61 47.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -62.72 -31.98 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.1 tp -67.29 -53.91 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.99 -26.93 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.25 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.96 -36.33 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.85 -34.86 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.39 67.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -24.13 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.43 30.98 12.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.88 131.11 64.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 100.26 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.216 . . . . 0.0 112.352 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 29.7 p90 -127.51 175.23 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -148.11 139.55 23.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 4' ' ' THR . 3.3 p -113.46 129.95 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.25 164.72 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -152.95 138.97 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' HG23 ' B' ' 67' ' ' THR . 65.3 tt0 -49.59 104.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -151.21 93.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 173.68 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.48 HG22 HG23 ' B' ' 68' ' ' VAL . 0.2 OUTLIER -110.55 112.72 24.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.505 ' CG2' HG23 ' B' ' 44' ' ' VAL . 12.0 mt -98.53 115.49 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' B' ' 52' ' ' VAL . 2.1 m-85 -99.18 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.91 108.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.695 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.8 mt -104.27 143.1 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -128.78 106.79 18.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 16' ' ' VAL . 54.2 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.3 p -116.41 7.64 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.03 178.27 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -59.64 -41.16 89.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.62 -47.99 78.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -63.77 -50.36 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 10' ' ' PRO . 73.6 t -57.62 -54.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.5 -38.67 74.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.91 -43.48 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.695 HD21 ' CG2' ' B' ' 8' ' ' ILE . 4.4 mp -68.42 -51.38 44.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.0 pt-20 -63.45 -25.93 68.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.49 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.1 -30.54 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.448 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.38 -29.34 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -68.41 -25.35 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -56.95 103.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.13 -16.96 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -17.83 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.22 -45.68 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.18 32.11 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.751 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.9 m-30 -78.99 -175.65 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 95.98 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 36.0 m95 -81.29 155.1 26.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.453 ' CG ' HG13 ' B' ' 44' ' ' VAL . 51.8 mm-40 -110.94 -39.78 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -134.46 142.25 42.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.2 Cg_endo -69.82 116.8 4.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.685 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.4 Cg_endo -69.77 77.55 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -114.24 -46.45 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.0 134.07 64.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.66 0.743 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.62 43.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.74 4.3 75.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -82.98 132.15 51.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 97.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.685 HG21 ' HB3' ' B' ' 36' ' ' PRO . 59.0 t -89.23 108.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' B' ' 5' ' ' ILE . 3.0 p -93.57 129.98 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.534 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 33.9 mt -126.93 148.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 101.33 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.751 HG22 ' CG ' ' B' ' 30' ' ' PHE . 18.0 pt -117.41 151.58 48.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.06 47.37 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.458 ' HA ' HG23 ' B' ' 52' ' ' VAL . 8.3 t -67.34 -12.99 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -92.23 1.06 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 88.4 mmm -125.89 10.67 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' B' ' 6' ' ' PHE . 93.6 t -71.82 -54.23 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.14 -40.38 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.15 -53.26 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -28.94 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.08 -56.05 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.85 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.41 -52.82 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' B' ' 66' ' ' PHE . 39.0 mt -72.37 -37.42 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -66.67 -34.64 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.52 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -93.42 -21.63 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.66 41.98 9.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -94.48 132.27 29.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.73 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 109.95 2.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' B' ' 59' ' ' LEU . 24.2 p90 -132.09 175.23 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.446 HG23 ' CD ' ' A' ' 71' ' ' GLU . 23.8 m -151.85 116.65 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.48 HG23 HG22 ' B' ' 4' ' ' THR . 5.2 p -90.86 123.32 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -106.12 145.4 31.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.22 144.37 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -52.4 108.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -108.91 108.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -112.78 171.97 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -118.64 124.59 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.77 118.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' HG13 ' A' ' 52' ' ' VAL . 3.2 m-85 -104.22 116.1 31.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 44' ' ' VAL . 3.9 m -109.5 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.5 143.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.26 103.31 20.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HB2' HG23 ' A' ' 16' ' ' VAL . 53.6 Cg_endo -69.78 140.43 42.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -120.73 18.73 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -178.22 172.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.55 -38.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.99 -56.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.0 -50.97 72.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 39' ' ' PRO . 51.2 t -54.36 -54.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -35.57 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.52 -48.08 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.13 -30.01 69.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -52.05 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 -30.83 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.63 -29.74 53.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.46 100.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -73.74 -15.85 61.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.27 -15.59 62.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.45 -46.33 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.97 32.69 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.717 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.69 -176.1 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -126.36 95.67 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ2' ' HB2' ' A' ' 23' ' ' ALA . 63.4 m95 -78.68 134.56 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' B' ' 44' ' ' VAL . 98.8 mm-40 -89.62 -38.71 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -138.06 151.05 69.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.77 117.93 5.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 54.2 Cg_endo -69.77 77.15 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 -35.27 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -85.05 113.09 48.03 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.79 131.73 21.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.53 -4.15 69.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -94.98 144.8 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.04 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.01 114.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 HG12 ' A' ' 7' ' ' VAL . 20.7 t -93.5 141.26 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 8' ' ' ILE . 29.8 mt -144.5 113.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.75 110.6 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.717 HG22 ' CG ' ' A' ' 30' ' ' PHE . 30.4 pt -121.19 152.33 56.96 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.56 52.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -65.69 -14.23 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -92.25 7.58 42.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.84 10.0 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 6' ' ' PHE . 92.5 t -72.23 -56.23 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.12 -38.54 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -63.57 -53.0 58.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 6.7 tp -63.21 -55.21 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.77 -31.3 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -53.11 46.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD13 ' CG ' ' A' ' 66' ' ' PHE . 82.1 mt -66.29 -40.43 90.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -64.1 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.39 -45.32 72.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -86.49 -23.86 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.28 8.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mt -85.72 132.49 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CG ' HD13 ' A' ' 59' ' ' LEU . 29.1 p90 -134.24 174.98 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.4 m -146.65 134.84 21.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 6' ' ' PHE . 13.7 t -101.36 140.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -129.57 152.02 49.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.15 139.32 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.55 105.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 44.06 5.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.956 0.408 . . . . 0.0 110.887 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.18 172.92 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.756 HG21 HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 123.02 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 mt -102.78 115.56 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' B' ' 47' ' ' ILE . 3.7 m-85 -102.65 117.3 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.69 HG12 HG22 ' B' ' 44' ' ' VAL . 3.8 m -106.2 108.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 1.018 HG21 HD21 ' B' ' 19' ' ' LEU . 15.3 mt -105.88 136.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 3.8 t -126.6 106.86 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' B' ' 16' ' ' VAL . 53.2 Cg_endo -69.78 145.85 58.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.6 p -120.11 7.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -170.41 175.43 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.83 -38.94 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -52.2 66.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.87 -50.52 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' B' ' 10' ' ' PRO . 69.4 t -56.06 -54.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.81 73.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 1.018 HD21 HG21 ' B' ' 8' ' ' ILE . 75.5 mt -69.52 -49.72 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.12 -25.76 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.79 -51.27 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -30.43 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -57.93 -31.17 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -65.88 -24.36 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -62.34 94.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.95 -19.18 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.36 -18.32 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -75.32 -45.94 36.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.27 32.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.675 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.8 m-85 -77.8 -176.04 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.08 95.64 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' B' ' 23' ' ' ALA . 72.4 m95 -79.99 135.31 36.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' HG3' HG21 ' A' ' 44' ' ' VAL . 4.4 mm100 -89.61 -45.41 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -135.38 142.22 40.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 112.46 3.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.663 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.9 Cg_endo -69.75 104.36 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 -49.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -88.59 131.51 41.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.39 47.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.89 -16.19 61.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -83.43 138.11 41.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' B' ' 36' ' ' PRO . 99.2 t -119.39 117.09 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.69 HG22 HG12 ' B' ' 7' ' ' VAL . 91.3 t -94.54 133.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.6 mt -134.67 112.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.74 100.46 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.675 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.2 pt -114.18 151.72 45.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 157.54 60.11 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.441 ' O ' HG22 ' B' ' 52' ' ' VAL . 36.8 m -64.68 -15.2 61.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.64 7.66 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.0 mmm -134.38 7.32 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.756 HG11 HG21 ' B' ' 4' ' ' THR . 27.8 m -72.31 -37.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.19 -47.0 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.97 -52.1 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.481 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -61.97 -32.29 72.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.648 HD23 ' HZ ' ' B' ' 66' ' ' PHE . 0.9 OUTLIER -65.51 -55.76 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -61.06 -35.43 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -48.25 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' B' ' 64' ' ' ILE . 1.9 mm? -62.14 -48.11 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -64.76 -34.89 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.7 86.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -89.74 -9.15 50.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.82 44.04 71.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.78 133.47 20.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 110.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.648 ' HZ ' HD23 ' B' ' 56' ' ' LEU . 5.7 p90 -138.41 176.07 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 7' ' ' VAL . 1.1 m -154.42 137.39 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.566 ' CG2' HG22 ' B' ' 4' ' ' THR . 2.6 p -106.7 134.17 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.66 156.86 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.37 148.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -51.67 120.49 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -84.86 87.37 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -97.77 175.16 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.759 HG21 HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -113.36 103.2 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' B' ' 69' ' ' TYR . 21.8 mt -85.79 136.06 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.8 m-85 -123.1 118.5 27.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.87 111.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 19' ' ' LEU . 2.0 mp -115.24 131.52 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.57 107.08 23.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.13 57.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -125.83 7.5 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -163.94 169.85 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.68 -36.22 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.74 -56.73 17.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.18 -45.05 96.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.81 -54.25 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -57.46 -39.66 76.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.6 -49.28 69.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 8' ' ' ILE . 83.1 mt -61.35 -47.84 84.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 23.4 pt-20 -68.43 -26.5 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.68 -49.54 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.89 -30.76 58.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -67.25 -25.04 65.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.73 100.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.23 -16.64 60.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.81 -22.59 65.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.66 -46.48 63.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 64.8 32.37 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.623 ' CG ' HG22 ' A' ' 47' ' ' ILE . 17.2 m-85 -77.32 -175.55 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -126.26 95.7 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 70.9 m95 -80.65 133.13 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 HE21 HD13 ' A' ' 46' ' ' LEU . 87.2 mm-40 -86.14 -42.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' HG13 ' A' ' 43' ' ' VAL . 2.5 p30 -139.01 145.28 44.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.5 Cg_endo -69.72 115.32 4.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.771 ' HB3' HG21 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.76 120.8 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -155.88 -45.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.68 135.25 40.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.94 49.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.52 -5.2 82.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -90.32 110.58 41.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 107.43 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 36' ' ' PRO . 91.0 t -85.88 132.62 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG21 ' HG3' ' B' ' 33' ' ' GLN . 23.5 t -95.75 127.14 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.547 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 6.3 mt -130.49 113.7 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HE21 ' A' ' 33' ' ' GLN . 6.1 mp -83.28 98.77 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG22 ' CG ' ' A' ' 30' ' ' PHE . 22.7 pt -110.37 151.94 42.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 158.38 57.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' HA ' HG23 ' A' ' 52' ' ' VAL . 14.5 t -65.04 -14.76 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.23 5.89 45.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.4 mmm -131.8 8.08 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.759 HG21 HG21 ' A' ' 4' ' ' THR . 92.6 t -72.79 -34.8 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.53 -42.32 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -64.25 -51.63 62.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.6 mt -66.21 -55.43 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.67 -29.15 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -53.17 37.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 66' ' ' PHE . 51.7 mt -66.65 -40.76 88.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.17 -34.54 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.81 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -92.3 -23.94 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.67 41.28 6.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 mt -92.12 132.95 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.34 3.06 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' CD2' HD13 ' A' ' 59' ' ' LEU . 29.4 p90 -133.64 175.23 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -145.9 119.29 9.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 6' ' ' PHE . 19.9 t -88.98 132.54 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' B' ' 5' ' ' ILE . 83.8 m-85 -127.66 150.34 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -142.31 155.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.43 106.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -90.64 82.96 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 175.2 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.661 HG21 HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -109.75 104.91 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.431 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.8 mt -85.71 139.79 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.456 ' CZ ' HG22 ' B' ' 68' ' ' VAL . 2.2 m-85 -125.94 119.5 27.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 38.9 t -107.97 109.77 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.752 HG22 HD21 ' B' ' 19' ' ' LEU . 3.4 mt -114.21 126.29 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 p -122.72 105.58 35.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.62 67.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -127.23 18.54 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -171.72 166.08 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.92 -39.09 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.61 -52.26 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -60.24 -47.98 83.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.23 -53.65 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -54.85 -39.53 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.404 ' HD1' HD12 ' B' ' 19' ' ' LEU . 55.9 t80 -64.22 -47.16 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.752 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.19 -51.02 65.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.2 pt-20 -64.1 -26.3 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.09 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.5 OUTLIER -64.54 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -56.84 -31.4 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -25.7 67.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.64 101.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.28 -17.15 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.6 -21.4 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' B' ' 30' ' ' PHE . 22.8 mt -77.59 -43.86 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.19 35.99 26.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.595 ' CD1' HG22 ' B' ' 47' ' ' ILE . 12.5 m-85 -74.9 -175.81 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.55 95.66 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 72.3 m95 -81.44 141.81 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 44' ' ' VAL . 91.0 mm-40 -96.94 -34.85 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.588 ' OD1' HG13 ' B' ' 43' ' ' VAL . 2.0 p30 -148.56 146.51 22.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 54.3 Cg_endo -69.77 114.99 3.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.765 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.72 99.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -135.66 -40.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -87.75 132.71 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.01 -7.68 76.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.94 112.42 50.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' B' ' 36' ' ' PRO . 94.3 t -85.55 132.78 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 88.7 t -96.74 126.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.563 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.2 mt -129.75 112.95 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.9 96.59 8.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.595 HG22 ' CD1' ' B' ' 30' ' ' PHE . 20.0 pt -108.11 152.17 41.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 158.66 56.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.622 2.214 . . . . 0.0 112.351 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.457 ' HA ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -65.04 -14.62 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -90.45 7.2 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 94.1 mmm -133.83 8.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.661 HG21 HG21 ' B' ' 4' ' ' THR . 85.5 t -72.08 -44.64 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.4 -42.52 91.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.5 -53.01 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.76 -54.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -66.24 -31.46 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.3 -53.24 52.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' B' ' 66' ' ' PHE . 71.0 mt -68.11 -41.8 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.03 -34.66 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.45 74.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -88.24 -26.07 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.51 31.89 9.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.1 131.25 59.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 109.95 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 59' ' ' LEU . 29.9 p90 -132.98 175.16 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.2 m -148.12 119.87 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' B' ' 6' ' ' PHE . 14.0 t -88.0 136.49 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 5' ' ' ILE . 87.6 m-85 -128.95 151.16 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -147.09 154.23 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.46 116.76 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -130.93 106.63 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -98.71 174.96 6.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.87 HG21 HG11 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -122.65 110.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' B' ' 69' ' ' TYR . 28.2 mt -94.34 115.65 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.41 112.35 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 67' ' ' THR . 2.7 p -105.69 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.866 HG21 HD21 ' A' ' 19' ' ' LEU . 3.1 mt -127.67 141.91 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.9 t -128.22 95.81 32.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.73 144.42 54.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -128.1 23.5 6.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.71 164.26 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -55.25 -35.92 65.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.49 -49.41 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.82 -46.94 85.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.21 -53.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.89 -39.02 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.92 -47.33 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.866 HD21 HG21 ' A' ' 8' ' ' ILE . 84.6 mt -63.75 -47.8 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.03 -26.5 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.19 26.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -31.22 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.94 -27.66 45.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -70.03 -27.14 64.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.04 99.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.06 -15.25 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.04 -21.29 63.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.95 -47.16 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.43 32.08 12.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CG ' HG22 ' A' ' 47' ' ' ILE . 18.2 m-85 -76.84 -175.74 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.51 95.58 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 59.4 m95 -78.67 145.24 34.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' HG3' HG21 ' B' ' 44' ' ' VAL . 5.0 mm100 -100.52 -34.47 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.33 150.98 50.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 78.69 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.63 -37.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.66 117.64 69.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 134.27 27.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -7.77 72.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.64 135.16 32.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.4 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 47.3 t -86.08 116.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -93.88 134.07 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.45 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 41.6 mt -137.62 112.47 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.99 105.95 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.68 HG22 ' CG ' ' A' ' 30' ' ' PHE . 23.4 pt -119.78 151.99 53.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.47 63.36 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 8.0 t -64.07 -15.44 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -90.31 6.27 43.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.7 mmm -132.95 5.74 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 4' ' ' THR . 29.7 m -72.46 -38.9 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.25 -40.26 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -66.76 -51.89 50.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -41.46 99.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 66' ' ' PHE . 13.8 tp -59.86 -55.13 37.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.47 -26.56 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.88 14.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 64' ' ' ILE . 24.0 mt -66.47 -33.96 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -69.3 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.94 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -97.34 -27.26 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.66 34.05 7.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 59' ' ' LEU . 7.3 mt -82.9 132.25 51.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 56' ' ' LEU . 31.2 p90 -122.44 175.47 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 m -152.83 118.58 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 4' ' ' THR . 4.9 p -92.73 132.88 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.48 153.83 36.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.02 145.95 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -51.83 117.39 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -148.19 94.5 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' B' ' 46' ' ' LEU . 0.0 OUTLIER -97.59 144.77 26.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.627 HG21 HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -101.0 108.98 20.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' B' ' 44' ' ' VAL . 5.6 mt -92.95 115.85 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.503 ' CE1' HG13 ' B' ' 68' ' ' VAL . 1.9 m-85 -100.28 115.5 30.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.65 116.56 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.773 HG22 HD21 ' B' ' 19' ' ' LEU . 2.8 mt -119.05 119.69 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.6 p -114.06 105.27 54.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.4 Cg_endo -69.81 152.84 69.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.296 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p -128.62 19.58 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -174.34 164.9 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -53.96 -39.27 65.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.75 -51.09 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.37 -47.06 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.6 -50.46 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -57.18 -39.38 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' B' ' 19' ' ' LEU . 58.3 t80 -65.32 -46.88 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.773 HD21 HG22 ' B' ' 8' ' ' ILE . 5.0 mp -64.31 -49.78 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 21.8 pt-20 -65.25 -27.29 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.22 -50.32 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -58.08 -29.88 65.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -67.62 -23.27 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.67 94.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -69.21 -19.61 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 -21.25 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' B' ' 30' ' ' PHE . 69.7 mt -71.84 -46.5 57.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t30 64.59 31.2 12.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.72 ' CG ' HG22 ' B' ' 47' ' ' ILE . 20.3 m-30 -74.77 -175.48 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.19 95.72 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.593 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 70.0 m95 -81.8 137.91 35.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -92.76 -36.94 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -144.91 150.76 47.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 53.9 Cg_endo -69.79 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.599 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.5 Cg_endo -69.82 76.4 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -120.49 -29.9 4.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -91.26 117.76 68.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 137.92 36.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -12.03 69.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.423 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.3 125.92 48.15 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.681 0.753 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.21 3.3 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 36' ' ' PRO . 60.0 t -85.72 128.77 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.488 HG21 ' HG3' ' A' ' 33' ' ' GLN . 24.4 t -93.15 121.15 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.6 HG22 HG23 ' B' ' 47' ' ' ILE . 30.7 mt -126.66 112.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' B' ' 3' ' ' LYS . 3.0 mp -82.55 98.06 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.72 HG22 ' CG ' ' B' ' 30' ' ' PHE . 7.8 pt -109.5 152.34 42.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.6 65.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG22 ' B' ' 52' ' ' VAL . 4.1 m -63.71 -16.22 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.37 7.64 34.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -134.46 8.32 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.627 HG11 HG21 ' B' ' 4' ' ' THR . 29.9 m -71.38 -39.04 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.72 -41.54 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.41 -51.95 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -62.73 -48.94 77.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 66' ' ' PHE . 12.4 tp -53.8 -55.19 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.94 -38.35 90.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -52.79 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' B' ' 66' ' ' PHE . 74.8 mt -61.92 -40.24 94.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -67.95 -34.64 76.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.86 -36.8 67.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -92.99 -28.25 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 36.15 6.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -89.33 131.7 39.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.36 2.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.583 ' CZ ' HD12 ' B' ' 56' ' ' LEU . 30.5 p90 -132.97 175.56 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -146.93 118.28 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' CE1' ' B' ' 6' ' ' PHE . 20.9 t -84.92 137.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 5' ' ' ILE . 89.0 m-85 -130.15 149.37 51.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 4' ' ' THR . 6.9 m -152.73 155.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 139.03 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -89.28 108.27 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.965 0.412 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 164.18 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.36 111.17 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 46' ' ' LEU . 37.0 mt -94.61 130.63 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 52' ' ' VAL . 5.0 m-85 -114.85 120.71 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 44' ' ' VAL . 4.4 m -112.09 109.66 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.757 ' CG2' HD21 ' A' ' 19' ' ' LEU . 2.6 mp -103.19 142.38 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 13.6 t -128.5 97.85 27.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.75 143.5 51.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 p -123.43 19.92 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -175.96 170.26 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.6 -36.59 74.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -57.76 -51.4 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.87 -51.17 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -56.13 -54.46 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . . . -56.48 -39.06 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -63.61 -46.48 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD21 ' CG2' ' A' ' 8' ' ' ILE . 4.8 mp -65.53 -51.22 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.9 pt-20 -63.69 -25.89 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.17 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -67.37 -30.47 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -54.84 -28.81 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -68.5 -26.72 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.14 99.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.89 -16.26 61.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.99 -18.79 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.63 -46.85 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.11 32.18 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HG22 ' A' ' 47' ' ' ILE . 19.4 m-30 -78.9 -175.63 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.8 95.89 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.459 ' CZ3' HD11 ' A' ' 45' ' ' ILE . 66.2 m95 -78.93 143.06 36.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' B' ' 44' ' ' VAL . 5.4 mm100 -97.74 -36.55 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -145.06 149.73 43.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 78.23 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -122.24 -33.51 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.64 119.82 69.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 131.06 20.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.07 1.04 65.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -94.68 135.34 24.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 98.47 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.446 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 92.0 t -86.41 119.38 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 7' ' ' VAL . 92.8 t -93.68 141.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 31.8 mt -144.28 112.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 5' ' ' ILE . 3.6 mp -83.51 106.54 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.693 HG22 ' CG ' ' A' ' 30' ' ' PHE . 28.1 pt -120.17 152.21 54.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.43 56.93 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.43 -13.89 61.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.49 -4.98 58.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.34 6.82 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 49' ' ' SER . 7.1 p -69.23 -40.23 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 52' ' ' VAL . 50.1 mt-10 -60.67 -45.0 95.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -61.39 -52.6 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.15 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -63.92 -55.6 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.51 -27.26 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 22' ' ' LEU . 1.8 ttt -66.07 -53.11 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 66' ' ' PHE . 85.5 mt -70.97 -36.24 72.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -68.84 -34.69 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.23 -38.3 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -93.02 -25.3 18.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.98 27.34 19.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mt -73.86 131.32 81.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.1 p90 -126.92 175.17 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -147.9 136.97 22.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 6' ' ' PHE . 16.9 t -100.35 137.42 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' B' ' 5' ' ' ILE . 71.4 m-85 -126.67 151.5 48.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -148.16 130.6 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.41 108.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -133.71 97.48 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 164.2 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.98 100.84 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 69' ' ' TYR . 86.9 mt -88.12 140.8 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' B' ' 47' ' ' ILE . 4.7 m-85 -126.72 119.36 26.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.01 108.59 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.928 HG21 HD21 ' B' ' 19' ' ' LEU . 13.6 mt -105.56 138.41 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 6.4 t -128.23 98.13 27.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.179 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.3 Cg_endo -69.79 145.03 55.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.627 2.218 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.7 p -126.67 23.96 6.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.83 162.33 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -55.3 -37.34 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -59.16 -50.18 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.26 -50.32 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.37 -54.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.41 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.81 -42.28 77.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.928 HD21 HG21 ' B' ' 8' ' ' ILE . 41.7 mt -68.81 -47.26 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -66.47 -31.85 72.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.7 55.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.91 65.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -71.26 -26.4 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.99 104.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.01 -17.03 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -23.29 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.53 -45.91 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.28 31.5 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.747 ' CG ' HG22 ' B' ' 47' ' ' ILE . 21.3 m-30 -79.36 -175.05 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -134.25 95.36 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 32.8 m95 -82.01 155.14 25.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' HG21 ' A' ' 44' ' ' VAL . 69.3 mm-40 -112.12 -39.05 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.3 140.59 37.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.62 0.724 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.17 4.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.575 ' HB3' HG21 ' B' ' 43' ' ' VAL . 53.8 Cg_endo -69.79 76.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 23.6 m -116.0 -43.19 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.2 124.12 88.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.5 9.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.36 14.03 52.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.41 140.46 21.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 112.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' B' ' 36' ' ' PRO . 84.2 t -104.56 107.97 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.441 HG11 ' HG3' ' A' ' 33' ' ' GLN . 4.5 p -93.85 133.97 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.498 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 25.4 mt -130.93 149.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 101.31 9.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.747 HG22 ' CG ' ' B' ' 30' ' ' PHE . 26.4 pt -116.52 152.12 47.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.99 55.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 52' ' ' VAL . 46.1 t -66.86 -12.86 60.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.07 -3.86 56.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 90.1 mmm -120.24 4.43 10.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' B' ' 6' ' ' PHE . 7.3 p -66.88 -39.14 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.3 -45.0 93.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -61.43 -52.91 62.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.486 ' HD1' HD23 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -62.96 -30.81 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 56' ' ' LEU . 11.2 mt -64.87 -55.47 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -35.5 78.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ttt -63.07 -48.91 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' B' ' 64' ' ' ILE . 2.2 mm? -62.66 -52.13 64.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.25 -34.45 75.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.94 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.414 ' HB2' HG13 ' B' ' 64' ' ' ILE . 40.3 mmtm -78.65 -8.91 59.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 46.51 76.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.607 ' HB ' HD13 ' B' ' 59' ' ' LEU . 10.3 mt -103.16 132.94 20.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.74 3.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -134.67 175.89 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -150.99 115.61 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' B' ' 6' ' ' PHE . 13.7 t -82.88 133.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -120.07 143.5 48.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.03 139.58 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.42 104.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -94.94 105.86 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD3' HD23 ' A' ' 46' ' ' LEU . 17.9 ttmt -98.43 165.92 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.3 113.78 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 44' ' ' VAL . 7.6 mt -105.7 115.7 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HE1' HG23 ' A' ' 52' ' ' VAL . 3.6 m-85 -97.98 117.97 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.44 108.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.051 HG21 HD21 ' A' ' 19' ' ' LEU . 18.5 mt -107.27 134.87 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 3.0 t -128.17 100.84 22.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.591 0.71 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 53.6 Cg_endo -69.84 149.19 66.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -127.93 16.02 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -174.18 173.45 3.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.35 -36.62 76.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.53 -51.84 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.96 -50.92 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.84 -54.65 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.12 69.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.5 -42.73 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.051 HD21 HG21 ' A' ' 8' ' ' ILE . 53.3 mt -68.13 -51.1 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.8 -25.52 67.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.92 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -31.37 71.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -56.19 -24.8 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -73.15 -25.53 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.17 101.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.12 -17.04 60.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -67.99 -23.0 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.1 -46.2 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.2 t30 65.27 31.41 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CG ' HG22 ' A' ' 47' ' ' ILE . 20.4 m-30 -77.88 -175.15 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.87 102.91 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.591 ' HZ3' HG11 ' A' ' 43' ' ' VAL . 55.6 m95 -84.22 134.74 34.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -86.65 -36.89 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.16 154.59 67.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.77 117.11 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_endo -69.77 77.68 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -129.88 -37.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -83.92 116.04 62.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 -14.18 65.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.82 136.92 50.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG11 ' HZ3' ' A' ' 32' ' ' TRP . 99.0 t -90.96 128.11 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.542 HG11 HG21 ' B' ' 44' ' ' VAL . 84.9 t -106.66 126.91 62.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 32' ' ' TRP . 27.3 mt -128.07 113.0 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 3' ' ' LYS . 6.2 mp -82.04 100.32 9.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.743 HG22 ' CG ' ' A' ' 30' ' ' PHE . 6.7 pt -111.75 152.78 44.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.25 57.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.7 t -66.95 -13.38 61.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.8 -5.9 58.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 89.2 mmm -122.83 7.6 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.742 HG22 HD12 ' A' ' 56' ' ' LEU . 7.3 p -67.62 -41.61 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 52' ' ' VAL . 15.2 mt-10 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -63.54 -52.52 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.694 ' CD2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.15 -36.76 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -62.95 -55.29 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -34.1 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -45.65 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 64' ' ' ILE . 1.6 mm? -62.79 -48.81 77.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -66.89 -34.8 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -91.56 -19.71 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.04 42.1 9.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 59' ' ' LEU . 5.1 mt -100.67 131.78 23.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 105.88 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.2 p90 -130.33 175.8 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -153.79 112.02 3.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.91 142.01 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.53 153.59 44.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.75 149.82 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -51.93 112.47 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 51.68 52.95 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.809 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.442 ' HE3' HD23 ' B' ' 46' ' ' LEU . 0.0 OUTLIER -97.87 175.35 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.88 103.62 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.3 mt -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.589 ' CE1' HG23 ' B' ' 52' ' ' VAL . 2.5 m-85 -123.03 125.74 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.75 115.38 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.74 ' CG2' HD21 ' B' ' 19' ' ' LEU . 2.5 mt -119.55 119.05 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' B' ' 10' ' ' PRO . 1.7 p -113.26 105.24 55.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 111.157 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 9' ' ' VAL . 53.6 Cg_endo -69.69 152.35 69.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -128.73 21.01 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -174.73 164.55 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.69 -37.63 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.39 -50.41 73.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.44 -54.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . . . -55.06 -37.12 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.469 ' HD1' HD12 ' B' ' 19' ' ' LEU . 41.6 t80 -66.44 -50.85 61.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' B' ' 8' ' ' ILE . 5.5 mp -60.79 -48.48 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 17' ' ' ALA . 23.2 pt-20 -66.16 -28.63 68.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.26 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -68.49 -31.17 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 32' ' ' TRP . . . -55.74 -27.37 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -70.37 -24.76 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.85 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.46 -19.0 62.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.89 -22.09 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.79 -46.89 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 64.43 32.56 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.67 ' CG ' HG22 ' B' ' 47' ' ' ILE . 17.5 m-85 -77.78 -175.65 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -124.72 95.82 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' B' ' 45' ' ' ILE . 64.2 m95 -80.75 139.64 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -93.37 -40.03 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -141.5 152.63 64.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 118.38 5.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.01 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' B' ' 37' ' ' THR . 5.6 m -128.38 -1.67 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 39' ' ' PRO . 42.2 mt-10 -114.49 112.6 45.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 38' ' ' GLU . 53.8 Cg_endo -69.76 137.24 35.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.1 -14.53 65.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -97.96 127.42 37.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 118.61 5.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.02 131.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.542 HG21 HG11 ' A' ' 44' ' ' VAL . 99.7 t -93.66 133.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.453 HD11 ' CZ3' ' B' ' 32' ' ' TRP . 29.8 mt -140.17 112.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.442 HD23 ' HE3' ' B' ' 3' ' ' LYS . 4.6 mp -83.63 102.1 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.67 HG22 ' CG ' ' B' ' 30' ' ' PHE . 27.3 pt -115.32 152.32 46.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.175 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.59 63.01 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.636 ' O ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -64.71 -14.98 60.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.21 -4.32 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 92.0 mmm -123.43 7.31 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.636 HG12 ' O ' ' B' ' 49' ' ' SER . 7.4 p -69.59 -41.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.416 ' N ' HG13 ' B' ' 52' ' ' VAL . 41.6 mt-10 -61.68 -42.16 98.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.5 -52.62 62.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -64.44 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.59 -55.79 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -66.94 -30.52 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.2 ttt -64.58 -53.2 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.616 HD13 ' CG ' ' B' ' 66' ' ' PHE . 52.2 mt -66.29 -42.75 87.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -65.19 -34.63 78.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.36 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -88.08 -28.12 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.63 33.17 7.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 7.7 mt -84.12 131.76 50.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 106.91 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' B' ' 59' ' ' LEU . 32.9 p90 -130.9 175.28 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -149.26 122.44 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' B' ' 6' ' ' PHE . 20.6 t -86.61 140.34 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -132.88 146.73 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.21 153.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.16 103.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.932 . . . . . . . . 0 0 . 1 stop_ save_